1-N'-decylpropane-1,1-diamine

C13H30N2 — CID 19822794

IUPAC1-N'-decylpropane-1,1-diamine
SMILESCCCCCCCCCCNC(N)CC
InChIInChI=1S/C13H30N2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h13,15H,3-12,14H2,1-2H3
InChIKeyHWKMZRJLWZSICJ-UHFFFAOYSA-N
MW214.40 g/mol
LogP3.41
Rot. Bonds11

About 1-N'-decylpropane-1,1-diamine

1-N'-decylpropane-1,1-diamine (PubChem CID 19822794) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-N'-decylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-decylpropane-1,1-diamine
PubChem CID19822794
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-N'-decylpropane-1,1-diamine
SMILESCCCCCCCCCCNC(N)CC
InChIInChI=1S/C13H30N2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h13,15H,3-12,14H2,1-2H3
InChIKeyHWKMZRJLWZSICJ-UHFFFAOYSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N'-butylpropane-1,1-diamine
CID 22184083
1-N'-decylethane-1,1,2-triamine
CID 57125344
N"-octylmethanetriamine
CID 139788026
1-N'-nonylethane-1,1-diamine
CID 141374358
1-N'-pentylethane-1,1-diamine
CID 87708859
1-(hexylamino)propan-1-ol
CID 57070645
N-butan-2-yldodecan-1-amine
CID 63489622
N-butan-2-ylundecan-1-amine
CID 151961423
N-propan-2-ylicosan-1-amine
CID 87246132
1-(1-aminopropylamino)octan-2-ol
CID 140711640
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
(hexadecylamino)methanediol
CID 139772673

Frequently Asked Questions

What is the IUPAC name of 1-N'-decylpropane-1,1-diamine?
The IUPAC name of 1-N'-decylpropane-1,1-diamine (CID 19822794) is 1-N'-decylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-decylpropane-1,1-diamine?
The canonical SMILES for 1-N'-decylpropane-1,1-diamine is CCCCCCCCCCNC(N)CC.
What is the InChIKey of 1-N'-decylpropane-1,1-diamine?
The InChIKey is HWKMZRJLWZSICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h13,15H,3-12,14H2,1-2H3.
What are the key properties of 1-N'-decylpropane-1,1-diamine?
1-N'-decylpropane-1,1-diamine has a molecular weight of 214.40 g/mol, XLogP of 3.41, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-decylpropane-1,1-diamine is sourced from PubChem (CID 19822794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).