N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine

C12H26N2 — CID 115453956

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine
SMILESCC(C)CCCCNCC1(CN)CC1
InChIInChI=1S/C12H26N2/c1-11(2)5-3-4-8-14-10-12(9-13)6-7-12/h11,14H,3-10,13H2,1-2H3
InChIKeyGOUORCRGEWKQJA-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.14
Rot. Bonds8

About N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine (PubChem CID 115453956) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine
PubChem CID115453956
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine
SMILESCC(C)CCCCNCC1(CN)CC1
InChIInChI=1S/C12H26N2/c1-11(2)5-3-4-8-14-10-12(9-13)6-7-12/h11,14H,3-10,13H2,1-2H3
InChIKeyGOUORCRGEWKQJA-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.14
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)cyclobutyl]methyl]-7-methyloctan-1-amine
CID 107815647
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methylpentan-1-amine
CID 114757500
N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine
CID 115326071
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine
CID 115453904
N-[[1-(4-methylpentyl)cyclopropyl]methyl]ethanamine
CID 83169408
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
CID 115244264
2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine
CID 82017292
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 115444997
[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine
CID 83167921

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine (CID 115453956) is N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine is CC(C)CCCCNCC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine?
The InChIKey is GOUORCRGEWKQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2)5-3-4-8-14-10-12(9-13)6-7-12/h11,14H,3-10,13H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine is sourced from PubChem (CID 115453956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).