3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine

C21H32N4 — CID 143987290

IUPAC3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCCN(C2=c3ncccc3=CC=C(C)C2)CC1
InChIInChI=1S/C21H32N4/c1-3-19(9-10-22)24-12-5-13-25(15-14-24)20-16-17(2)7-8-18-6-4-11-23-21(18)20/h4,6-8,11,19H,3,5,9-10,12-16,22H2,1-2H3
InChIKeyGJDLFAPEZMBKQK-UHFFFAOYSA-N
MW340.51 g/mol
LogP1.46
Rot. Bonds5

About 3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine

3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine (PubChem CID 143987290) has the molecular formula C21H32N4 and a molecular weight of 340.51 g/mol. Its IUPAC name is 3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine
PubChem CID143987290
Molecular FormulaC21H32N4
Molecular Weight340.51 g/mol
Exact Mass340.26
IUPAC Name3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCCN(C2=c3ncccc3=CC=C(C)C2)CC1
InChIInChI=1S/C21H32N4/c1-3-19(9-10-22)24-12-5-13-25(15-14-24)20-16-17(2)7-8-18-6-4-11-23-21(18)20/h4,6-8,11,19H,3,5,9-10,12-16,22H2,1-2H3
InChIKeyGJDLFAPEZMBKQK-UHFFFAOYSA-N
XLogP1.46
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine with MolForge

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Related Compounds

3-butylcyclohepta-1,3,5-triene;ethane;4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine
CID 143682774
ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane
CID 143987285
ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+)
CID 143987289
N'-[(2,5-dimethyl-2H-azepin-7-yl)methyl]-N'-[(E)-4-(ethylideneamino)-5-methyloct-4-en-3-yl]pentane-1,5-diamine
CID 156421106
(3E,5Z,7E)-9-[3-[2-(6-aminohexan-2-ylamino)ethyl-methylamino]butylimino]-5-ethylidene-3-methyl-2-N-propylnona-3,7-diene-2,6-diamine
CID 174108491
1-[(1Z)-1-[(3Z)-3-(3-methylbutylidene)-2-pyridinylidene]propyl]-4-pentan-3-yl-1,4-diazepane
CID 143987262
1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane
CID 143987286
(2E)-1-N-methyl-4-N-[1-[(2E,3E)-2-(2-methyliminoethylidene)hepta-3,5,6-trienyl]piperidin-3-yl]penta-2,4-diene-1,4-diamine
CID 153633808

Frequently Asked Questions

What is the IUPAC name of 3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine (CID 143987290) is 3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine is CCC(CCN)N1CCCN(C2=c3ncccc3=CC=C(C)C2)CC1.
What is the InChIKey of 3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine?
The InChIKey is GJDLFAPEZMBKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-3-19(9-10-22)24-12-5-13-25(15-14-24)20-16-17(2)7-8-18-6-4-11-23-21(18)20/h4,6-8,11,19H,3,5,9-10,12-16,22H2,1-2H3.
What are the key properties of 3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine?
3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine has a molecular weight of 340.51 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentan-1-amine is sourced from PubChem (CID 143987290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).