4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine

C16H32N2 — CID 65082868

IUPAC4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
SMILESCC1(C)CCCC(NCCCN2CCCC2)CC1
InChIInChI=1S/C16H32N2/c1-16(2)9-5-7-15(8-10-16)17-11-6-14-18-12-3-4-13-18/h15,17H,3-14H2,1-2H3
InChIKeyBBQQBJOIIYGHJE-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds5

About 4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine

4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine (PubChem CID 65082868) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
PubChem CID65082868
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
SMILESCC1(C)CCCC(NCCCN2CCCC2)CC1
InChIInChI=1S/C16H32N2/c1-16(2)9-5-7-15(8-10-16)17-11-6-14-18-12-3-4-13-18/h15,17H,3-14H2,1-2H3
InChIKeyBBQQBJOIIYGHJE-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-piperidin-1-ylpropyl)spiro[4.5]decan-8-amine
CID 114817155
4,4-dimethyl-N-(2-morpholin-4-ylethyl)cycloheptan-1-amine
CID 65082758
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine
CID 65286769
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
CID 62569104
4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 28657772
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine
CID 62932033
4,4-dimethyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65083791
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
CID 114008759
3-methyl-N-(3-piperidin-1-ylpropyl)cyclohexan-1-amine
CID 43181773
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine (CID 65082868) is 4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine is CC1(C)CCCC(NCCCN2CCCC2)CC1.
What is the InChIKey of 4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine?
The InChIKey is BBQQBJOIIYGHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-16(2)9-5-7-15(8-10-16)17-11-6-14-18-12-3-4-13-18/h15,17H,3-14H2,1-2H3.
What are the key properties of 4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine?
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine is sourced from PubChem (CID 65082868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).