1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane

C23H39N3 — CID 143987262

IUPAC1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane
SMILESCC/C(=c1/nccc/c1=C/CC(C)C)N1CCCN(C(CC)CC)CC1
InChIInChI=1S/C23H39N3/c1-6-21(7-2)25-15-10-16-26(18-17-25)22(8-3)23-20(11-9-14-24-23)13-12-19(4)5/h9,11,13-14,19,21H,6-8,10,12,15-18H2,1-5H3/b20-13-,23-22-
InChIKeyOLSTUQHGMUIJAQ-JDJFWADASA-N
MW357.59 g/mol
LogP3.62
Rot. Bonds7

About 1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane

1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane (PubChem CID 143987262) has the molecular formula C23H39N3 and a molecular weight of 357.59 g/mol. Its IUPAC name is 1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane.

Molecular Properties

Compound Name1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane
PubChem CID143987262
Molecular FormulaC23H39N3
Molecular Weight357.59 g/mol
Exact Mass357.31
IUPAC Name1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane
SMILESCC/C(=c1/nccc/c1=C/CC(C)C)N1CCCN(C(CC)CC)CC1
InChIInChI=1S/C23H39N3/c1-6-21(7-2)25-15-10-16-26(18-17-25)22(8-3)23-20(11-9-14-24-23)13-12-19(4)5/h9,11,13-14,19,21H,6-8,10,12,15-18H2,1-5H3/b20-13-,23-22-
InChIKeyOLSTUQHGMUIJAQ-JDJFWADASA-N
XLogP3.62
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane with MolForge

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Related Compounds

1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane;methyl formate
CID 143987261
(4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine
CID 142277357
3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 143987290

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane?
The IUPAC name of 1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane (CID 143987262) is 1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane.
What is the SMILES notation for 1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane?
The canonical SMILES for 1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane is CC/C(=c1/nccc/c1=C/CC(C)C)N1CCCN(C(CC)CC)CC1.
What is the InChIKey of 1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane?
The InChIKey is OLSTUQHGMUIJAQ-JDJFWADASA-N. The full InChI is InChI=1S/C23H39N3/c1-6-21(7-2)25-15-10-16-26(18-17-25)22(8-3)23-20(11-9-14-24-23)13-12-19(4)5/h9,11,13-14,19,21H,6-8,10,12,15-18H2,1-5H3/b20-13-,23-22-.
What are the key properties of 1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane?
1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane has a molecular weight of 357.59 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane is sourced from PubChem (CID 143987262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).