N-(3-methyloctyl)cyclopropanamine

C12H25N — CID 81018953

IUPACN-(3-methyloctyl)cyclopropanamine
SMILESCCCCCC(C)CCNC1CC1
InChIInChI=1S/C12H25N/c1-3-4-5-6-11(2)9-10-13-12-7-8-12/h11-13H,3-10H2,1-2H3
InChIKeyOPYPWZUCNZPCEN-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.34
Rot. Bonds8

About N-(3-methyloctyl)cyclopropanamine

N-(3-methyloctyl)cyclopropanamine (PubChem CID 81018953) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(3-methyloctyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-methyloctyl)cyclopropanamine
PubChem CID81018953
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(3-methyloctyl)cyclopropanamine
SMILESCCCCCC(C)CCNC1CC1
InChIInChI=1S/C12H25N/c1-3-4-5-6-11(2)9-10-13-12-7-8-12/h11-13H,3-10H2,1-2H3
InChIKeyOPYPWZUCNZPCEN-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.34
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-(3-methylpentadecyl)cyclopropanamine
CID 81020007
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
N-(4-methylhexyl)cyclopropanamine
CID 62529631
N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine
CID 66337356
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N'-cyclopropyl-2-methylbutane-1,4-diamine
CID 79001550
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
N-(3-methylhexyl)-1-propan-2-ylpiperidin-4-amine
CID 139366254
N,3-dimethylnonan-1-amine
CID 81019354
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109

Frequently Asked Questions

What is the IUPAC name of N-(3-methyloctyl)cyclopropanamine?
The IUPAC name of N-(3-methyloctyl)cyclopropanamine (CID 81018953) is N-(3-methyloctyl)cyclopropanamine.
What is the SMILES notation for N-(3-methyloctyl)cyclopropanamine?
The canonical SMILES for N-(3-methyloctyl)cyclopropanamine is CCCCCC(C)CCNC1CC1.
What is the InChIKey of N-(3-methyloctyl)cyclopropanamine?
The InChIKey is OPYPWZUCNZPCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-4-5-6-11(2)9-10-13-12-7-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(3-methyloctyl)cyclopropanamine?
N-(3-methyloctyl)cyclopropanamine has a molecular weight of 183.34 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloctyl)cyclopropanamine is sourced from PubChem (CID 81018953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).