N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine

C15H31N — CID 79299262

IUPACN,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine
SMILESCNC(C(C)C)C1CCCC(C(C)C)CC1
InChIInChI=1S/C15H31N/c1-11(2)13-7-6-8-14(10-9-13)15(16-5)12(3)4/h11-16H,6-10H2,1-5H3
InChIKeyBYSLVUGQSJFXRU-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.08
Rot. Bonds4

About N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine

N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine (PubChem CID 79299262) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine
PubChem CID79299262
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine
SMILESCNC(C(C)C)C1CCCC(C(C)C)CC1
InChIInChI=1S/C15H31N/c1-11(2)13-7-6-8-14(10-9-13)15(16-5)12(3)4/h11-16H,6-10H2,1-5H3
InChIKeyBYSLVUGQSJFXRU-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N,2,3-trimethylbutan-1-amine
CID 105049433
4-[2-methyl-1-(methylamino)propyl]cyclohexan-1-amine
CID 116952267
N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine
CID 79446345
(1R)-1-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 166781304
1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine
CID 79299591
1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine
CID 105049538
1-cyclohexyl-1-(methylamino)propan-2-ol
CID 116859518
1-cyclohexyl-1-N-methylpropane-1,2-diamine
CID 116948168
(1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 59965988
1-cyclopropyl-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720061
1-cyclopentyl-2-methoxy-N-methylpropan-1-amine
CID 79616561
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine?
The IUPAC name of N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine (CID 79299262) is N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine is CNC(C(C)C)C1CCCC(C(C)C)CC1.
What is the InChIKey of N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine?
The InChIKey is BYSLVUGQSJFXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-11(2)13-7-6-8-14(10-9-13)15(16-5)12(3)4/h11-16H,6-10H2,1-5H3.
What are the key properties of N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine?
N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine is sourced from PubChem (CID 79299262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).