3-[(4-methylpentylamino)methyl]cyclobutan-1-amine

C11H24N2 — CID 115214235

IUPAC3-[(4-methylpentylamino)methyl]cyclobutan-1-amine
SMILESCC(C)CCCNCC1CC(N)C1
InChIInChI=1S/C11H24N2/c1-9(2)4-3-5-13-8-10-6-11(12)7-10/h9-11,13H,3-8,12H2,1-2H3
InChIKeyHRHFKWYUPQOBQH-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.75
Rot. Bonds6

About 3-[(4-methylpentylamino)methyl]cyclobutan-1-amine

3-[(4-methylpentylamino)methyl]cyclobutan-1-amine (PubChem CID 115214235) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-[(4-methylpentylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(4-methylpentylamino)methyl]cyclobutan-1-amine
PubChem CID115214235
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-[(4-methylpentylamino)methyl]cyclobutan-1-amine
SMILESCC(C)CCCNCC1CC(N)C1
InChIInChI=1S/C11H24N2/c1-9(2)4-3-5-13-8-10-6-11(12)7-10/h9-11,13H,3-8,12H2,1-2H3
InChIKeyHRHFKWYUPQOBQH-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
CID 115161643
[2-[(4-methylpentylamino)methyl]cyclohexyl]methanol
CID 83156139
5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
CID 107132315
5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
CID 115325962
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
1-N-(cyclopropylmethyl)hexane-1,5-diamine
CID 82853515
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol
CID 66006380
N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 142367999
4-methyl-N-(4-methylpentyl)pentan-1-amine;nitrous acid
CID 173099376
4-chloro-N-(cyclopentylmethyl)pentan-1-amine
CID 106122016

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpentylamino)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[(4-methylpentylamino)methyl]cyclobutan-1-amine (CID 115214235) is 3-[(4-methylpentylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[(4-methylpentylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[(4-methylpentylamino)methyl]cyclobutan-1-amine is CC(C)CCCNCC1CC(N)C1.
What is the InChIKey of 3-[(4-methylpentylamino)methyl]cyclobutan-1-amine?
The InChIKey is HRHFKWYUPQOBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-9(2)4-3-5-13-8-10-6-11(12)7-10/h9-11,13H,3-8,12H2,1-2H3.
What are the key properties of 3-[(4-methylpentylamino)methyl]cyclobutan-1-amine?
3-[(4-methylpentylamino)methyl]cyclobutan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpentylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).