N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine

C12H25N — CID 62119280

IUPACN-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)C1(C)CC1
InChIInChI=1S/C12H25N/c1-5-7-11(6-2)13-10(3)12(4)8-9-12/h10-11,13H,5-9H2,1-4H3
InChIKeyRQYHGEMUWIXUFC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.34
Rot. Bonds6

About N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine

N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine (PubChem CID 62119280) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine
PubChem CID62119280
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)C1(C)CC1
InChIInChI=1S/C12H25N/c1-5-7-11(6-2)13-10(3)12(4)8-9-12/h10-11,13H,5-9H2,1-4H3
InChIKeyRQYHGEMUWIXUFC-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine (CID 62119280) is N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine is CCCC(CC)NC(C)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine?
The InChIKey is RQYHGEMUWIXUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-7-11(6-2)13-10(3)12(4)8-9-12/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine?
N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine has a molecular weight of 183.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine is sourced from PubChem (CID 62119280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).