4-methyl-N-propyldecan-5-amine

C14H31N — CID 115837654

IUPAC4-methyl-N-propyldecan-5-amine
SMILESCCCCCC(NCCC)C(C)CCC
InChIInChI=1S/C14H31N/c1-5-8-9-11-14(15-12-7-3)13(4)10-6-2/h13-15H,5-12H2,1-4H3
InChIKeyGNIXMUWNLWFWFZ-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.37
Rot. Bonds10

About 4-methyl-N-propyldecan-5-amine

4-methyl-N-propyldecan-5-amine (PubChem CID 115837654) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 4-methyl-N-propyldecan-5-amine.

Molecular Properties

Compound Name4-methyl-N-propyldecan-5-amine
PubChem CID115837654
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name4-methyl-N-propyldecan-5-amine
SMILESCCCCCC(NCCC)C(C)CCC
InChIInChI=1S/C14H31N/c1-5-8-9-11-14(15-12-7-3)13(4)10-6-2/h13-15H,5-12H2,1-4H3
InChIKeyGNIXMUWNLWFWFZ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.37
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

3-methyl-N-propylhexadecan-4-amine
CID 63717053
4-methyl-N-propyldec-9-yn-5-amine
CID 105034144
N,4-dipropyldodecan-5-amine
CID 115832095
2-ethoxy-N-propylnonan-3-amine
CID 64532611
N-ethyl-5-methyltridecan-6-amine
CID 114246331
1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine
CID 107896692
4-ethoxy-N-propyltetradecan-5-amine
CID 116718264
5-ethyl-N-propyltetradecan-6-amine
CID 115835262
N-propylnonan-2-amine
CID 43129664
6-methyl-N-propylnon-2-yn-5-amine
CID 115819999
(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
(4S)-N-ethyl-5-methylnonan-4-amine
CID 138564824

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyldecan-5-amine?
The IUPAC name of 4-methyl-N-propyldecan-5-amine (CID 115837654) is 4-methyl-N-propyldecan-5-amine.
What is the SMILES notation for 4-methyl-N-propyldecan-5-amine?
The canonical SMILES for 4-methyl-N-propyldecan-5-amine is CCCCCC(NCCC)C(C)CCC.
What is the InChIKey of 4-methyl-N-propyldecan-5-amine?
The InChIKey is GNIXMUWNLWFWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-5-8-9-11-14(15-12-7-3)13(4)10-6-2/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-methyl-N-propyldecan-5-amine?
4-methyl-N-propyldecan-5-amine has a molecular weight of 213.41 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyldecan-5-amine is sourced from PubChem (CID 115837654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).