N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine

C15H32N2 — CID 107815647

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNCC1(CN)CCC1
InChIInChI=1S/C15H32N2/c1-14(2)8-5-3-4-6-11-17-13-15(12-16)9-7-10-15/h14,17H,3-13,16H2,1-2H3
InChIKeyJQIJCAUGHNUSIQ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.31
Rot. Bonds10

About N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine

N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine (PubChem CID 107815647) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine
PubChem CID107815647
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNCC1(CN)CCC1
InChIInChI=1S/C15H32N2/c1-14(2)8-5-3-4-6-11-17-13-15(12-16)9-7-10-15/h14,17H,3-13,16H2,1-2H3
InChIKeyJQIJCAUGHNUSIQ-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.31
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-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine
CID 115453956
[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 115444997
N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine
CID 83167921
2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine
CID 82017292
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
[1-(4-methylpentyl)cyclopentyl]methanamine
CID 83169041
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methylpentan-1-amine
CID 114757500
N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine
CID 115326071
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 115449017
N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
CID 167274692

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine (CID 107815647) is N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine is CC(C)CCCCCCNCC1(CN)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine?
The InChIKey is JQIJCAUGHNUSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2)8-5-3-4-6-11-17-13-15(12-16)9-7-10-15/h14,17H,3-13,16H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.31, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine is sourced from PubChem (CID 107815647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).