N-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine

C12H25N — CID 167246300

IUPACN-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine
SMILESCCCC(C)(C)C(C)NC1CC1C
InChIInChI=1S/C12H25N/c1-6-7-12(4,5)10(3)13-11-8-9(11)2/h9-11,13H,6-8H2,1-5H3
InChIKeyADKHNCKQFMRRSW-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds5

About N-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine

N-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine (PubChem CID 167246300) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine
PubChem CID167246300
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine
SMILESCCCC(C)(C)C(C)NC1CC1C
InChIInChI=1S/C12H25N/c1-6-7-12(4,5)10(3)13-11-8-9(11)2/h9-11,13H,6-8H2,1-5H3
InChIKeyADKHNCKQFMRRSW-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine?
The IUPAC name of N-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine (CID 167246300) is N-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine?
The canonical SMILES for N-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine is CCCC(C)(C)C(C)NC1CC1C.
What is the InChIKey of N-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine?
The InChIKey is ADKHNCKQFMRRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-7-12(4,5)10(3)13-11-8-9(11)2/h9-11,13H,6-8H2,1-5H3.
What are the key properties of N-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine?
N-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylhexan-2-yl)-2-methylcyclopropan-1-amine is sourced from PubChem (CID 167246300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).