(1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine

C16H28N2 — CID 134923782

IUPAC(1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine
SMILESC=CCN(CC=C)/C(=C\C=C(C)C)N(CC)CC
InChIInChI=1S/C16H28N2/c1-7-13-18(14-8-2)16(12-11-15(5)6)17(9-3)10-4/h7-8,11-12H,1-2,9-10,13-14H2,3-6H3/b16-12-
InChIKeyZREBSCBFTJCORU-VBKFSLOCSA-N
MW248.41 g/mol
LogP3.81
Rot. Bonds9

About (1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine

(1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine (PubChem CID 134923782) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine
PubChem CID134923782
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine
SMILESC=CCN(CC=C)/C(=C\C=C(C)C)N(CC)CC
InChIInChI=1S/C16H28N2/c1-7-13-18(14-8-2)16(12-11-15(5)6)17(9-3)10-4/h7-8,11-12H,1-2,9-10,13-14H2,3-6H3/b16-12-
InChIKeyZREBSCBFTJCORU-VBKFSLOCSA-N
XLogP3.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Pylgdvvzcfdran-fiflttcusa-
CID 13081047
1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine
CID 86160754
(1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine
CID 134923712
N-ethyl-N-(2H-pyridin-1-ylmethyl)ethanamine
CID 20646151
N,N,1-trimethyl-2H-pyridin-6-amine
CID 54297992
1-methyl-N,N-dipropyl-2H-pyridin-6-amine
CID 56612432
N,N-dimethyl-1-propan-2-yl-2H-pyridin-6-amine
CID 56625560
N,N-diethyl-1-propan-2-yl-2H-pyridin-6-amine
CID 56630257
1-methyl-N,N-di(propan-2-yl)-2H-pyridin-6-amine
CID 56630542
N,N-diethyl-1-methyl-2H-pyridin-6-amine
CID 56633490
N,N-dimethyl-1-(2H-pyridin-1-yl)ethanamine
CID 69754897
1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine
CID 73165533

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine?
The IUPAC name of (1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine (CID 134923782) is (1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine.
What is the SMILES notation for (1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine?
The canonical SMILES for (1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine is C=CCN(CC=C)/C(=C\C=C(C)C)N(CC)CC.
What is the InChIKey of (1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine?
The InChIKey is ZREBSCBFTJCORU-VBKFSLOCSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-13-18(14-8-2)16(12-11-15(5)6)17(9-3)10-4/h7-8,11-12H,1-2,9-10,13-14H2,3-6H3/b16-12-.
What are the key properties of (1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine?
(1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine is sourced from PubChem (CID 134923782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).