N-[(4S)-2,4-dimethylhexyl]cyclopropanamine

C11H23N — CID 142895112

IUPACN-[(4S)-2,4-dimethylhexyl]cyclopropanamine
SMILESCC[C@H](C)CC(C)CNC1CC1
InChIInChI=1S/C11H23N/c1-4-9(2)7-10(3)8-12-11-5-6-11/h9-12H,4-8H2,1-3H3/t9-,10?/m0/s1
InChIKeyKTVWDZNALNKCBZ-RGURZIINSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds6

About N-[(4S)-2,4-dimethylhexyl]cyclopropanamine

N-[(4S)-2,4-dimethylhexyl]cyclopropanamine (PubChem CID 142895112) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-[(4S)-2,4-dimethylhexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4S)-2,4-dimethylhexyl]cyclopropanamine
PubChem CID142895112
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-[(4S)-2,4-dimethylhexyl]cyclopropanamine
SMILESCC[C@H](C)CC(C)CNC1CC1
InChIInChI=1S/C11H23N/c1-4-9(2)7-10(3)8-12-11-5-6-11/h9-12H,4-8H2,1-3H3/t9-,10?/m0/s1
InChIKeyKTVWDZNALNKCBZ-RGURZIINSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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-(2-methylbutyl)cyclopentanamine
CID 43200714
N-[2-methyl-3-(2-methylbutylsulfanyl)propyl]cyclopropanamine
CID 107754143
N-(2-methylbutyl)oxan-4-amine
CID 43609665
1-ethyl-N-(2-methylbutyl)piperidin-4-amine
CID 61038759
N-(4-methylhexan-2-yl)cyclopropanamine
CID 103439280
N-(2-ethyl-3-methylbutyl)cyclopropanamine
CID 62529769
1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine
CID 79482589
1-cyclopropyl-N-(2-methylbutyl)piperidin-4-amine
CID 43746988
N-(2-methylbutyl)-4-phenylcyclohexan-1-amine
CID 43673843
5-[(4-methoxycyclohexyl)amino]-4-methylpentan-2-ol
CID 104530285
N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
CID 62530308
N-(2-butan-2-yloxypropyl)cyclopropanamine
CID 62453628

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,4-dimethylhexyl]cyclopropanamine?
The IUPAC name of N-[(4S)-2,4-dimethylhexyl]cyclopropanamine (CID 142895112) is N-[(4S)-2,4-dimethylhexyl]cyclopropanamine.
What is the SMILES notation for N-[(4S)-2,4-dimethylhexyl]cyclopropanamine?
The canonical SMILES for N-[(4S)-2,4-dimethylhexyl]cyclopropanamine is CC[C@H](C)CC(C)CNC1CC1.
What is the InChIKey of N-[(4S)-2,4-dimethylhexyl]cyclopropanamine?
The InChIKey is KTVWDZNALNKCBZ-RGURZIINSA-N. The full InChI is InChI=1S/C11H23N/c1-4-9(2)7-10(3)8-12-11-5-6-11/h9-12H,4-8H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of N-[(4S)-2,4-dimethylhexyl]cyclopropanamine?
N-[(4S)-2,4-dimethylhexyl]cyclopropanamine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,4-dimethylhexyl]cyclopropanamine is sourced from PubChem (CID 142895112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).