N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine

C11H23N — CID 90365867

IUPACN-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine
SMILESCC(C)NC(C)C1CC(C)(C)C1
InChIInChI=1S/C11H23N/c1-8(2)12-9(3)10-6-11(4,5)7-10/h8-10,12H,6-7H2,1-5H3
InChIKeyVUEVMOXSDPMEDN-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds3

About N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine

N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine (PubChem CID 90365867) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine
PubChem CID90365867
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine
SMILESCC(C)NC(C)C1CC(C)(C)C1
InChIInChI=1S/C11H23N/c1-8(2)12-9(3)10-6-11(4,5)7-10/h8-10,12H,6-7H2,1-5H3
InChIKeyVUEVMOXSDPMEDN-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopentylethyl)propan-2-amine
CID 59833137
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
(1R)-1-cyclopentyl-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 81395104
2,5,5-trimethyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine
CID 18780189
N-(1-cyclopentylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359064
N-[1-(3,3-dimethylcyclohexyl)ethyl]propan-1-amine
CID 66437223
N-[(1R)-1-cyclopentylethyl]-3,3-dimethylcyclopentan-1-amine
CID 81395492
N-[(1S)-1-cyclohexylethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961036
3-(1-bromoethyl)-1,1-dimethylcyclohexane
CID 66471069
cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 66838571
CID 87569665
CID 87569665

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine (CID 90365867) is N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine is CC(C)NC(C)C1CC(C)(C)C1.
What is the InChIKey of N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine?
The InChIKey is VUEVMOXSDPMEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-8(2)12-9(3)10-6-11(4,5)7-10/h8-10,12H,6-7H2,1-5H3.
What are the key properties of N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine?
N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine is sourced from PubChem (CID 90365867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).