N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine

C13H27N — CID 158562810

IUPACN-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine
SMILESCC(C)CC1CC(N(C)CC(C)C)C1
InChIInChI=1S/C13H27N/c1-10(2)6-12-7-13(8-12)14(5)9-11(3)4/h10-13H,6-9H2,1-5H3
InChIKeyHRCCXUWSBABHFZ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.40
Rot. Bonds5

About N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine

N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine (PubChem CID 158562810) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine
PubChem CID158562810
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine
SMILESCC(C)CC1CC(N(C)CC(C)C)C1
InChIInChI=1S/C13H27N/c1-10(2)6-12-7-13(8-12)14(5)9-11(3)4/h10-13H,6-9H2,1-5H3
InChIKeyHRCCXUWSBABHFZ-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-(2-methylpropyl)cyclopentanamine
CID 89147388
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62807255
N,5-dimethyl-N-(2-methylpropyl)piperidin-3-amine
CID 115373375
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
methane;methanol;N-methyl-N-(2-methylpropyl)cyclobutanamine
CID 155582647
N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane
CID 156794646
tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate
CID 118422917
N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 138728386
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine
CID 80561693
methane;N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 162017171
1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine
CID 107429448

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine?
The IUPAC name of N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine (CID 158562810) is N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine.
What is the SMILES notation for N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine?
The canonical SMILES for N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine is CC(C)CC1CC(N(C)CC(C)C)C1.
What is the InChIKey of N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine?
The InChIKey is HRCCXUWSBABHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)6-12-7-13(8-12)14(5)9-11(3)4/h10-13H,6-9H2,1-5H3.
What are the key properties of N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine?
N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 158562810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).