1-N-propan-2-yldodecane-1,3-diamine

C15H34N2 — CID 175283209

IUPAC1-N-propan-2-yldodecane-1,3-diamine
SMILESCCCCCCCCCC(N)CCNC(C)C
InChIInChI=1S/C15H34N2/c1-4-5-6-7-8-9-10-11-15(16)12-13-17-14(2)3/h14-15,17H,4-13,16H2,1-3H3
InChIKeyVNJARBOFDMPFRX-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.84
Rot. Bonds12

About 1-N-propan-2-yldodecane-1,3-diamine

1-N-propan-2-yldodecane-1,3-diamine (PubChem CID 175283209) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-N-propan-2-yldodecane-1,3-diamine.

Molecular Properties

Compound Name1-N-propan-2-yldodecane-1,3-diamine
PubChem CID175283209
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name1-N-propan-2-yldodecane-1,3-diamine
SMILESCCCCCCCCCC(N)CCNC(C)C
InChIInChI=1S/C15H34N2/c1-4-5-6-7-8-9-10-11-15(16)12-13-17-14(2)3/h14-15,17H,4-13,16H2,1-3H3
InChIKeyVNJARBOFDMPFRX-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-propan-2-ylnonan-1-amine
CID 81019995
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
N-propan-2-ylicosan-1-amine
CID 87246132
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
nonadecane-2,14-diamine
CID 89095951
(4R)-tridecan-4-amine
CID 150614684
icosane-5,10,16-triamine
CID 88870264
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710

Frequently Asked Questions

What is the IUPAC name of 1-N-propan-2-yldodecane-1,3-diamine?
The IUPAC name of 1-N-propan-2-yldodecane-1,3-diamine (CID 175283209) is 1-N-propan-2-yldodecane-1,3-diamine.
What is the SMILES notation for 1-N-propan-2-yldodecane-1,3-diamine?
The canonical SMILES for 1-N-propan-2-yldodecane-1,3-diamine is CCCCCCCCCC(N)CCNC(C)C.
What is the InChIKey of 1-N-propan-2-yldodecane-1,3-diamine?
The InChIKey is VNJARBOFDMPFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-4-5-6-7-8-9-10-11-15(16)12-13-17-14(2)3/h14-15,17H,4-13,16H2,1-3H3.
What are the key properties of 1-N-propan-2-yldodecane-1,3-diamine?
1-N-propan-2-yldodecane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.84, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propan-2-yldodecane-1,3-diamine is sourced from PubChem (CID 175283209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).