N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine

C13H27N — CID 107889334

IUPACN-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine
SMILESCCCNCC1CCC1C(C)CCC
InChIInChI=1S/C13H27N/c1-4-6-11(3)13-8-7-12(13)10-14-9-5-2/h11-14H,4-10H2,1-3H3
InChIKeyHWYWMACDGFZORD-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds7

About N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine

N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine (PubChem CID 107889334) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine
PubChem CID107889334
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine
SMILESCCCNCC1CCC1C(C)CCC
InChIInChI=1S/C13H27N/c1-4-6-11(3)13-8-7-12(13)10-14-9-5-2/h11-14H,4-10H2,1-3H3
InChIKeyHWYWMACDGFZORD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-butan-2-ylcyclobutyl)methyl]propan-1-amine
CID 81018359
N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 116500524
N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998398
N-[[2-(1-methoxypropan-2-yl)cyclopropyl]methyl]propan-1-amine
CID 116503155
2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 107889423
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
CID 93261342
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 81022950
N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029901
N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 83163463
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 107889421
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335

Frequently Asked Questions

What is the IUPAC name of N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine (CID 107889334) is N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine is CCCNCC1CCC1C(C)CCC.
What is the InChIKey of N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine?
The InChIKey is HWYWMACDGFZORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-6-11(3)13-8-7-12(13)10-14-9-5-2/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine?
N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine 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-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine is sourced from PubChem (CID 107889334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).