(2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine

C10H26N4 — CID 10805361

IUPAC(2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine
SMILESCCN[C@@H](CCCN)CNCCCN
InChIInChI=1S/C10H26N4/c1-2-14-10(5-3-6-11)9-13-8-4-7-12/h10,13-14H,2-9,11-12H2,1H3/t10-/m0/s1
InChIKeyIOYOTOSJJOMWJW-JTQLQIEISA-N
MW202.35 g/mol
LogP-0.36
Rot. Bonds10

About (2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine

(2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine (PubChem CID 10805361) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is (2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine.

Molecular Properties

Compound Name(2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine
PubChem CID10805361
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC Name(2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine
SMILESCCN[C@@H](CCCN)CNCCCN
InChIInChI=1S/C10H26N4/c1-2-14-10(5-3-6-11)9-13-8-4-7-12/h10,13-14H,2-9,11-12H2,1H3/t10-/m0/s1
InChIKeyIOYOTOSJJOMWJW-JTQLQIEISA-N
XLogP-0.36
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-aminobutyl)-1-N-[6-[[2-(3-aminobutylamino)-5-hydrazinylpentyl]amino]hexyl]pentane-1,2,5-triamine
CID 138564477
3-N-[2,2-bis(ethylamino)ethyl]hexane-1,3,6-triamine
CID 54314334
8-amino-5-(ethylamino)octan-3-one
CID 170040834
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
4-N-ethylocta-6,7-diene-1,4-diamine
CID 57256181
8-amino-5-(ethylamino)-2-methyloctan-3-one
CID 167221921
N-butyl-2-ethylpentane-1,5-diamine
CID 174821174
1-N,4-N-diethylnonane-1,4-diamine
CID 126574797
2-N-(3-aminopropyl)-1-N-octadecylpropane-1,2-diamine
CID 88840012
N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
CID 59929730
2-N,5-N-bis(3-aminobutyl)-1-N-[4-[2,5-bis(3-aminobutylamino)pentylamino]butyl]pentane-1,2,5-triamine
CID 88877316
N'-(3-aminopropyl)-4-methyloctane-1,8-diamine
CID 23599731

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine?
The IUPAC name of (2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine (CID 10805361) is (2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine.
What is the SMILES notation for (2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine?
The canonical SMILES for (2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine is CCN[C@@H](CCCN)CNCCCN.
What is the InChIKey of (2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine?
The InChIKey is IOYOTOSJJOMWJW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H26N4/c1-2-14-10(5-3-6-11)9-13-8-4-7-12/h10,13-14H,2-9,11-12H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine?
(2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine has a molecular weight of 202.35 g/mol, XLogP of -0.36, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine is sourced from PubChem (CID 10805361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).