5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine

C19H38N2 — CID 79866412

IUPAC5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(CN2CCCC(C(C)(C)C)CC2)CCC1(C)C
InChIInChI=1S/C19H38N2/c1-18(2,3)16-8-7-12-21(13-10-16)14-15-9-11-19(4,5)17(15)20-6/h15-17,20H,7-14H2,1-6H3
InChIKeyTUDXZXNHCMYWGT-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.16
Rot. Bonds3

About 5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine

5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79866412) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79866412
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(CN2CCCC(C(C)(C)C)CC2)CCC1(C)C
InChIInChI=1S/C19H38N2/c1-18(2,3)16-8-7-12-21(13-10-16)14-15-9-11-19(4,5)17(15)20-6/h15-17,20H,7-14H2,1-6H3
InChIKeyTUDXZXNHCMYWGT-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]piperidin-4-ol
CID 79867046
N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine
CID 79866831
N,2,2-trimethyl-5-[(4-propylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 79865903
N,2,2-trimethyl-5-[(3-methylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 79866936
6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79843711
1-[1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837898
N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 79855030
6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848349
N,2,2-trimethyl-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentan-1-amine
CID 102745812
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79855724
5-[(2,6-dimethylmorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79866437
4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine
CID 66236936

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine (CID 79866412) is 5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine is CNC1C(CN2CCCC(C(C)(C)C)CC2)CCC1(C)C.
What is the InChIKey of 5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is TUDXZXNHCMYWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-18(2,3)16-8-7-12-21(13-10-16)14-15-9-11-19(4,5)17(15)20-6/h15-17,20H,7-14H2,1-6H3.
What are the key properties of 5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine?
5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79866412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).