N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine

C19H44N4 — CID 90853445

IUPACN'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine
SMILESCCCCCCCCC(C)NCCCN(CCCN)CCCN
InChIInChI=1S/C19H44N4/c1-3-4-5-6-7-8-12-19(2)22-15-11-18-23(16-9-13-20)17-10-14-21/h19,22H,3-18,20-21H2,1-2H3
InChIKeyIDORSLZNAXBMLV-UHFFFAOYSA-N
MW328.59 g/mol
LogP3.10
Rot. Bonds18

About N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine

N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine (PubChem CID 90853445) has the molecular formula C19H44N4 and a molecular weight of 328.59 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine
PubChem CID90853445
Molecular FormulaC19H44N4
Molecular Weight328.59 g/mol
Exact Mass328.36
IUPAC NameN'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine
SMILESCCCCCCCCC(C)NCCCN(CCCN)CCCN
InChIInChI=1S/C19H44N4/c1-3-4-5-6-7-8-12-19(2)22-15-11-18-23(16-9-13-20)17-10-14-21/h19,22H,3-18,20-21H2,1-2H3
InChIKeyIDORSLZNAXBMLV-UHFFFAOYSA-N
XLogP3.10
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-dodecan-2-ylpentane-1,5-diamine
CID 175187271
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-ylheptan-1-amine
CID 43572726
N-heptan-2-yldodecan-1-amine
CID 63491878
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
N'-(8-octylhexadecyl)-N'-undecylpropane-1,3-diamine
CID 170756701
N'-(3-aminopropyl)-N'-[3-(dodecylamino)propyl]propane-1,3-diamine
CID 164800746
N-propylnonan-2-amine
CID 43129664
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine (CID 90853445) is N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine is CCCCCCCCC(C)NCCCN(CCCN)CCCN.
What is the InChIKey of N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine?
The InChIKey is IDORSLZNAXBMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44N4/c1-3-4-5-6-7-8-12-19(2)22-15-11-18-23(16-9-13-20)17-10-14-21/h19,22H,3-18,20-21H2,1-2H3.
What are the key properties of N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine?
N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine has a molecular weight of 328.59 g/mol, XLogP of 3.10, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 90853445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).