N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine

C18H28N2 — CID 65072735

IUPACN-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H28N2/c1-2-11-20-12-4-7-17(10-13-20)19-18-9-8-15-5-3-6-16(15)14-18/h8-9,14,17,19H,2-7,10-13H2,1H3
InChIKeyUAXZNAUVZCNPDQ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.85
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine

N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine (PubChem CID 65072735) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine
PubChem CID65072735
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H28N2/c1-2-11-20-12-4-7-17(10-13-20)19-18-9-8-15-5-3-6-16(15)14-18/h8-9,14,17,19H,2-7,10-13H2,1H3
InChIKeyUAXZNAUVZCNPDQ-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
N-(3,5-dimethylphenyl)-1-propylazepan-4-amine
CID 65073149
5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 65072952
N-(4-methylsulfonylphenyl)-1-propylazepan-4-amine
CID 65072534
N-(3-ethynylphenyl)-1-propylazepan-4-amine
CID 65073177
1-propyl-N-thiophen-3-ylazepan-4-amine
CID 66351874
N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine
CID 137448864
N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine
CID 54864978
N-(1-propylazepan-4-yl)quinolin-3-amine
CID 65074656
5-N-(1-propylpiperidin-4-yl)pyridine-2,5-diamine
CID 54963421
2-methoxy-5-[(1-propylpiperidin-4-yl)amino]phenol
CID 43743683

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine (CID 65072735) is N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine is CCCN1CCCC(Nc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine?
The InChIKey is UAXZNAUVZCNPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-11-20-12-4-7-17(10-13-20)19-18-9-8-15-5-3-6-16(15)14-18/h8-9,14,17,19H,2-7,10-13H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine?
N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine has a molecular weight of 272.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine is sourced from PubChem (CID 65072735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).