N-prop-1-en-2-ylnonan-5-amine

C12H25N — CID 166689261

IUPACN-prop-1-en-2-ylnonan-5-amine
SMILESC=C(C)NC(CCCC)CCCC
InChIInChI=1S/C12H25N/c1-5-7-9-12(10-8-6-2)13-11(3)4/h12-13H,3,5-10H2,1-2,4H3
InChIKeyBCWYZMBIFLYXCI-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.86
Rot. Bonds8

About N-prop-1-en-2-ylnonan-5-amine

N-prop-1-en-2-ylnonan-5-amine (PubChem CID 166689261) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-prop-1-en-2-ylnonan-5-amine.

Molecular Properties

Compound NameN-prop-1-en-2-ylnonan-5-amine
PubChem CID166689261
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-prop-1-en-2-ylnonan-5-amine
SMILESC=C(C)NC(CCCC)CCCC
InChIInChI=1S/C12H25N/c1-5-7-9-12(10-8-6-2)13-11(3)4/h12-13H,3,5-10H2,1-2,4H3
InChIKeyBCWYZMBIFLYXCI-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-nonan-5-ylnonan-5-amine
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N-tridecan-5-ylprop-2-enamide
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CID 87419548
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Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-ylnonan-5-amine?
The IUPAC name of N-prop-1-en-2-ylnonan-5-amine (CID 166689261) is N-prop-1-en-2-ylnonan-5-amine.
What is the SMILES notation for N-prop-1-en-2-ylnonan-5-amine?
The canonical SMILES for N-prop-1-en-2-ylnonan-5-amine is C=C(C)NC(CCCC)CCCC.
What is the InChIKey of N-prop-1-en-2-ylnonan-5-amine?
The InChIKey is BCWYZMBIFLYXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-7-9-12(10-8-6-2)13-11(3)4/h12-13H,3,5-10H2,1-2,4H3.
What are the key properties of N-prop-1-en-2-ylnonan-5-amine?
N-prop-1-en-2-ylnonan-5-amine has a molecular weight of 183.34 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-ylnonan-5-amine is sourced from PubChem (CID 166689261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).