N'-dodecan-2-ylpentane-1,5-diamine

C17H38N2 — CID 175187271

IUPACN'-dodecan-2-ylpentane-1,5-diamine
SMILESCCCCCCCCCCC(C)NCCCCCN
InChIInChI=1S/C17H38N2/c1-3-4-5-6-7-8-9-11-14-17(2)19-16-13-10-12-15-18/h17,19H,3-16,18H2,1-2H3
InChIKeyYFRBDXOZFVGCLX-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.62
Rot. Bonds15

About N'-dodecan-2-ylpentane-1,5-diamine

N'-dodecan-2-ylpentane-1,5-diamine (PubChem CID 175187271) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is N'-dodecan-2-ylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-dodecan-2-ylpentane-1,5-diamine
PubChem CID175187271
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC NameN'-dodecan-2-ylpentane-1,5-diamine
SMILESCCCCCCCCCCC(C)NCCCCCN
InChIInChI=1S/C17H38N2/c1-3-4-5-6-7-8-9-11-14-17(2)19-16-13-10-12-15-18/h17,19H,3-16,18H2,1-2H3
InChIKeyYFRBDXOZFVGCLX-UHFFFAOYSA-N
XLogP4.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.62
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

N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine
CID 90853445
N-propylnonan-2-amine
CID 43129664
N-pentan-2-ylheptan-1-amine
CID 43129169
docosane;4-N-ethylpentane-1,4-diamine
CID 174439569
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
2-N-(3-aminopropyl)-1-N-octadecylpropane-1,2-diamine
CID 88840012
trimethyl-[5-(tridecylamino)hexyl]azanium
CID 141374571

Frequently Asked Questions

What is the IUPAC name of N'-dodecan-2-ylpentane-1,5-diamine?
The IUPAC name of N'-dodecan-2-ylpentane-1,5-diamine (CID 175187271) is N'-dodecan-2-ylpentane-1,5-diamine.
What is the SMILES notation for N'-dodecan-2-ylpentane-1,5-diamine?
The canonical SMILES for N'-dodecan-2-ylpentane-1,5-diamine is CCCCCCCCCCC(C)NCCCCCN.
What is the InChIKey of N'-dodecan-2-ylpentane-1,5-diamine?
The InChIKey is YFRBDXOZFVGCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-3-4-5-6-7-8-9-11-14-17(2)19-16-13-10-12-15-18/h17,19H,3-16,18H2,1-2H3.
What are the key properties of N'-dodecan-2-ylpentane-1,5-diamine?
N'-dodecan-2-ylpentane-1,5-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.62, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dodecan-2-ylpentane-1,5-diamine is sourced from PubChem (CID 175187271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).