N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine

C13H27N — CID 62529767

IUPACN-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine
SMILESCC(C)CCC(CNC1CC1)C(C)C
InChIInChI=1S/C13H27N/c1-10(2)5-6-12(11(3)4)9-14-13-7-8-13/h10-14H,5-9H2,1-4H3
InChIKeyDLUOWQZKCXIXDQ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds7

About N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine

N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine (PubChem CID 62529767) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine
PubChem CID62529767
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine
SMILESCC(C)CCC(CNC1CC1)C(C)C
InChIInChI=1S/C13H27N/c1-10(2)5-6-12(11(3)4)9-14-13-7-8-13/h10-14H,5-9H2,1-4H3
InChIKeyDLUOWQZKCXIXDQ-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-ethyl-3-methylbutyl)cyclopropanamine
CID 62529769
N-(2-propan-2-yltetradecyl)cyclopropanamine
CID 63520975
N-[2-(2-ethoxyethyl)-3-methylbutyl]cyclopropanamine
CID 62529954
N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine
CID 106729682
N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
CID 62530308
4-(2-methylpropylamino)cyclohexan-1-ol
CID 8024862
N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine
CID 107757830
N-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine
CID 162546808
N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252718
N-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine
CID 107754168
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine?
The IUPAC name of N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine (CID 62529767) is N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine?
The canonical SMILES for N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine is CC(C)CCC(CNC1CC1)C(C)C.
What is the InChIKey of N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine?
The InChIKey is DLUOWQZKCXIXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)5-6-12(11(3)4)9-14-13-7-8-13/h10-14H,5-9H2,1-4H3.
What are the key properties of N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine?
N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine is sourced from PubChem (CID 62529767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).