N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine

C15H31N3 — CID 79866831

IUPACN,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine
SMILESCNC1C(CN2CCCN(C)CC2)CCC1(C)C
InChIInChI=1S/C15H31N3/c1-15(2)7-6-13(14(15)16-3)12-18-9-5-8-17(4)10-11-18/h13-14,16H,5-12H2,1-4H3
InChIKeySNZYSEDYVVFNEB-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.65
Rot. Bonds3

About N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine

N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine (PubChem CID 79866831) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine
PubChem CID79866831
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine
SMILESCNC1C(CN2CCCN(C)CC2)CCC1(C)C
InChIInChI=1S/C15H31N3/c1-15(2)7-6-13(14(15)16-3)12-18-9-5-8-17(4)10-11-18/h13-14,16H,5-12H2,1-4H3
InChIKeySNZYSEDYVVFNEB-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine
CID 79867057
1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]piperidin-4-ol
CID 79867046
2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 79865591
N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 79855030
N,2,2-trimethyl-5-[(3-methylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 79866936
5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79866412
N,2,2-trimethyl-5-[(4-propylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 79865903
1-[1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837898
N,2,2-trimethyl-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentan-1-amine
CID 102745812
5-[(2,6-dimethylmorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79866437
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79855724
5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79855490

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine (CID 79866831) is N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine is CNC1C(CN2CCCN(C)CC2)CCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine?
The InChIKey is SNZYSEDYVVFNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-15(2)7-6-13(14(15)16-3)12-18-9-5-8-17(4)10-11-18/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine?
N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79866831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).