[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine

C18H37N3 — CID 65283742

IUPAC[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
SMILESCC(C)N1CCCC(CN)(N2CCCC(C)(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-16(2)20-11-6-8-18(15-19,10-13-20)21-12-5-7-17(3,4)9-14-21/h16H,5-15,19H2,1-4H3
InChIKeyGSWPAIKASQPXOC-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.09
Rot. Bonds3

About [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine

[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine (PubChem CID 65283742) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
PubChem CID65283742
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
SMILESCC(C)N1CCCC(CN)(N2CCCC(C)(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-16(2)20-11-6-8-18(15-19,10-13-20)21-12-5-7-17(3,4)9-14-21/h16H,5-15,19H2,1-4H3
InChIKeyGSWPAIKASQPXOC-UHFFFAOYSA-N
XLogP3.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)-1-propan-2-ylazepan-4-yl]-N,N-dimethylpiperidin-4-amine
CID 65078068
[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078662
[4-(4-methyl-1,4-diazepan-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 28745310
[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 107454254
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
CID 165121785
[3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
CID 62937205
[3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine
CID 80706349
[4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 62993592
[4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078715
[1-(3,3-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661250
[1-propan-2-yl-4-(2-propylpiperidin-1-yl)azepan-4-yl]methanamine
CID 83052822

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The IUPAC name of [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine (CID 65283742) is [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine.
What is the SMILES notation for [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The canonical SMILES for [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine is CC(C)N1CCCC(CN)(N2CCCC(C)(C)CC2)CC1.
What is the InChIKey of [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The InChIKey is GSWPAIKASQPXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-16(2)20-11-6-8-18(15-19,10-13-20)21-12-5-7-17(3,4)9-14-21/h16H,5-15,19H2,1-4H3.
What are the key properties of [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine has a molecular weight of 295.51 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine is sourced from PubChem (CID 65283742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).