3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine

C10H29N7 — CID 161076734

IUPAC3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine
SMILESNCCNCC(CCN)(CCN)N(N)CCN
InChIInChI=1S/C10H29N7/c11-3-1-10(2-4-12,9-16-7-5-13)17(15)8-6-14/h16H,1-9,11-15H2
InChIKeyUFJKUEQXDBYSCK-UHFFFAOYSA-N
MW247.39 g/mol
LogP-2.89
Rot. Bonds11

About 3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine

3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine (PubChem CID 161076734) has the molecular formula C10H29N7 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine.

Molecular Properties

Compound Name3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine
PubChem CID161076734
Molecular FormulaC10H29N7
Molecular Weight247.39 g/mol
Exact Mass247.25
IUPAC Name3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine
SMILESNCCNCC(CCN)(CCN)N(N)CCN
InChIInChI=1S/C10H29N7/c11-3-1-10(2-4-12,9-16-7-5-13)17(15)8-6-14/h16H,1-9,11-15H2
InChIKeyUFJKUEQXDBYSCK-UHFFFAOYSA-N
XLogP-2.89
TPSA145.37 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.39
LogP ≤ 5-2.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine?
The IUPAC name of 3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine (CID 161076734) is 3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine.
What is the SMILES notation for 3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine?
The canonical SMILES for 3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine is NCCNCC(CCN)(CCN)N(N)CCN.
What is the InChIKey of 3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine?
The InChIKey is UFJKUEQXDBYSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H29N7/c11-3-1-10(2-4-12,9-16-7-5-13)17(15)8-6-14/h16H,1-9,11-15H2.
What are the key properties of 3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine?
3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine has a molecular weight of 247.39 g/mol, XLogP of -2.89, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(2-aminoethyl)amino]-3-[(2-aminoethylamino)methyl]pentane-1,5-diamine is sourced from PubChem (CID 161076734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).