(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal

C15H22N4O2 — CID 167298749

IUPAC(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal
SMILESCN(N)/C(C=O)=C(\N)c1ccc(OC2CCCCC2)cn1
InChIInChI=1S/C15H22N4O2/c1-19(17)14(10-20)15(16)13-8-7-12(9-18-13)21-11-5-3-2-4-6-11/h7-11H,2-6,16-17H2,1H3/b15-14-
InChIKeyNKBTYLKEQGJGDJ-PFONDFGASA-N
MW290.37 g/mol
LogP1.42
Rot. Bonds5

About (Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal

(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal (PubChem CID 167298749) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal.

Molecular Properties

Compound Name(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal
PubChem CID167298749
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal
SMILESCN(N)/C(C=O)=C(\N)c1ccc(OC2CCCCC2)cn1
InChIInChI=1S/C15H22N4O2/c1-19(17)14(10-20)15(16)13-8-7-12(9-18-13)21-11-5-3-2-4-6-11/h7-11H,2-6,16-17H2,1H3/b15-14-
InChIKeyNKBTYLKEQGJGDJ-PFONDFGASA-N
XLogP1.42
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate;ethane
CID 145423871
N,N'-diamino-N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl]cyclopentanecarboximidamide
CID 167298903
5-cycloheptyloxypyridine-2-carboxylic acid
CID 115491140
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(3-methylbutyl)carbamate
CID 154935949
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-spiro[2.3]hexan-5-ylcarbamate
CID 145423885
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate
CID 145423829
(1-propylcyclopropyl)methyl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl]carbamate
CID 166804302
(3-fluorophenyl)methyl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl]carbamate
CID 166804221
5-cyclobutyloxy-N'-hydroxypyridine-2-carboximidamide
CID 136990877
1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone
CID 83120164
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-methoxy-2-pyridinyl)prop-2-enyl] N-cyclopentyl-N-methylcarbamate
CID 155745579
5-(4-methylcyclohexyl)oxypyridine-2-carboximidamide
CID 113321289

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal?
The IUPAC name of (Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal (CID 167298749) is (Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal.
What is the SMILES notation for (Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal?
The canonical SMILES for (Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal is CN(N)/C(C=O)=C(\N)c1ccc(OC2CCCCC2)cn1.
What is the InChIKey of (Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal?
The InChIKey is NKBTYLKEQGJGDJ-PFONDFGASA-N. The full InChI is InChI=1S/C15H22N4O2/c1-19(17)14(10-20)15(16)13-8-7-12(9-18-13)21-11-5-3-2-4-6-11/h7-11H,2-6,16-17H2,1H3/b15-14-.
What are the key properties of (Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal?
(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal has a molecular weight of 290.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal is sourced from PubChem (CID 167298749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).