N,4-dipropyldodecan-5-amine

C18H39N — CID 115832095

IUPACN,4-dipropyldodecan-5-amine
SMILESCCCCCCCC(NCCC)C(CCC)CCC
InChIInChI=1S/C18H39N/c1-5-9-10-11-12-15-18(19-16-8-4)17(13-6-2)14-7-3/h17-19H,5-16H2,1-4H3
InChIKeyZLRZIDARUDOQIY-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.93
Rot. Bonds14

About N,4-dipropyldodecan-5-amine

N,4-dipropyldodecan-5-amine (PubChem CID 115832095) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N,4-dipropyldodecan-5-amine.

Molecular Properties

Compound NameN,4-dipropyldodecan-5-amine
PubChem CID115832095
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN,4-dipropyldodecan-5-amine
SMILESCCCCCCCC(NCCC)C(CCC)CCC
InChIInChI=1S/C18H39N/c1-5-9-10-11-12-15-18(19-16-8-4)17(13-6-2)14-7-3/h17-19H,5-16H2,1-4H3
InChIKeyZLRZIDARUDOQIY-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.93
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

5-ethyl-N-propyltetradecan-6-amine
CID 115835262
N,4-dipropyldodec-11-en-5-amine
CID 107011617
4-methyl-N-propyldecan-5-amine
CID 115837654
3-methyl-N-propylhexadecan-4-amine
CID 63717053
4-ethoxy-N-propyltetradecan-5-amine
CID 116718264
2-ethoxy-N-propylnonan-3-amine
CID 64532611
3-ethoxy-N-propyltridecan-4-amine
CID 116717144
N,6-dipropylnon-1-en-5-amine
CID 104987362
4,5-dipropyltetradecane
CID 21490606
8-hexyl-7-propyltriacontane
CID 21490607
7,8-dipropyltetradecane
CID 530307
1-(propylamino)nonan-1-ol
CID 88518015

Frequently Asked Questions

What is the IUPAC name of N,4-dipropyldodecan-5-amine?
The IUPAC name of N,4-dipropyldodecan-5-amine (CID 115832095) is N,4-dipropyldodecan-5-amine.
What is the SMILES notation for N,4-dipropyldodecan-5-amine?
The canonical SMILES for N,4-dipropyldodecan-5-amine is CCCCCCCC(NCCC)C(CCC)CCC.
What is the InChIKey of N,4-dipropyldodecan-5-amine?
The InChIKey is ZLRZIDARUDOQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-5-9-10-11-12-15-18(19-16-8-4)17(13-6-2)14-7-3/h17-19H,5-16H2,1-4H3.
What are the key properties of N,4-dipropyldodecan-5-amine?
N,4-dipropyldodecan-5-amine has a molecular weight of 269.52 g/mol, XLogP of 5.93, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dipropyldodecan-5-amine is sourced from PubChem (CID 115832095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).