N-[(1-methylcyclopropyl)methyl]hexan-1-amine

C11H23N — CID 107165769

IUPACN-[(1-methylcyclopropyl)methyl]hexan-1-amine
SMILESCCCCCCNCC1(C)CC1
InChIInChI=1S/C11H23N/c1-3-4-5-6-9-12-10-11(2)7-8-11/h12H,3-10H2,1-2H3
InChIKeyYMFSVKWHQOURKY-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.96
Rot. Bonds7

About N-[(1-methylcyclopropyl)methyl]hexan-1-amine

N-[(1-methylcyclopropyl)methyl]hexan-1-amine (PubChem CID 107165769) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]hexan-1-amine
PubChem CID107165769
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-[(1-methylcyclopropyl)methyl]hexan-1-amine
SMILESCCCCCCNCC1(C)CC1
InChIInChI=1S/C11H23N/c1-3-4-5-6-9-12-10-11(2)7-8-11/h12H,3-10H2,1-2H3
InChIKeyYMFSVKWHQOURKY-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.96
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-[(1-methylcyclopropyl)methyl]propan-1-amine
CID 66025109
N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
CID 115455602
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
[1-[(hexylamino)methyl]cyclopropyl]methanol
CID 115454400
octane;N-octylnonan-1-amine
CID 145152206
N-hexyltridecan-1-amine
CID 87659278
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-[(2-methylthiolan-2-yl)methyl]decan-1-amine
CID 80721703
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]hexan-1-amine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]hexan-1-amine (CID 107165769) is N-[(1-methylcyclopropyl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]hexan-1-amine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]hexan-1-amine is CCCCCCNCC1(C)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]hexan-1-amine?
The InChIKey is YMFSVKWHQOURKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-3-4-5-6-9-12-10-11(2)7-8-11/h12H,3-10H2,1-2H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]hexan-1-amine?
N-[(1-methylcyclopropyl)methyl]hexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]hexan-1-amine is sourced from PubChem (CID 107165769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).