(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine

C17H26N8O — CID 167298819

IUPAC(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine
SMILESCc1nc(/C(N)=C(\Cc2nn[nH]n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C17H26N8O/c1-11-15(26-12-6-4-3-5-7-12)9-8-13(20-11)17(18)14(25(2)19)10-16-21-23-24-22-16/h8-9,12H,3-7,10,18-19H2,1-2H3,(H,21,22,23,24)/b17-14-
InChIKeyAFXFSXLHMFITEW-VKAVYKQESA-N
MW358.45 g/mol
LogP1.29
Rot. Bonds6

About (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine

(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine (PubChem CID 167298819) has the molecular formula C17H26N8O and a molecular weight of 358.45 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine
PubChem CID167298819
Molecular FormulaC17H26N8O
Molecular Weight358.45 g/mol
Exact Mass358.22
IUPAC Name(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine
SMILESCc1nc(/C(N)=C(\Cc2nn[nH]n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C17H26N8O/c1-11-15(26-12-6-4-3-5-7-12)9-8-13(20-11)17(18)14(25(2)19)10-16-21-23-24-22-16/h8-9,12H,3-7,10,18-19H2,1-2H3,(H,21,22,23,24)/b17-14-
InChIKeyAFXFSXLHMFITEW-VKAVYKQESA-N
XLogP1.29
TPSA131.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine (CID 167298819) is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine is Cc1nc(/C(N)=C(\Cc2nn[nH]n2)N(C)N)ccc1OC1CCCCC1.
What is the InChIKey of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine?
The InChIKey is AFXFSXLHMFITEW-VKAVYKQESA-N. The full InChI is InChI=1S/C17H26N8O/c1-11-15(26-12-6-4-3-5-7-12)9-8-13(20-11)17(18)14(25(2)19)10-16-21-23-24-22-16/h8-9,12H,3-7,10,18-19H2,1-2H3,(H,21,22,23,24)/b17-14-.
What are the key properties of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine?
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine has a molecular weight of 358.45 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine is sourced from PubChem (CID 167298819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).