2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine

C10H26N4 — CID 16727466

IUPAC2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine
SMILESCCC(CN)NCCNC(CC)CN
InChIInChI=1S/C10H26N4/c1-3-9(7-11)13-5-6-14-10(4-2)8-12/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeyUMJJHUCVPXAKPJ-UHFFFAOYSA-N
MW202.35 g/mol
LogP-0.36
Rot. Bonds9

About 2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine

2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine (PubChem CID 16727466) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is 2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine
PubChem CID16727466
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC Name2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine
SMILESCCC(CN)NCCNC(CC)CN
InChIInChI=1S/C10H26N4/c1-3-9(7-11)13-5-6-14-10(4-2)8-12/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeyUMJJHUCVPXAKPJ-UHFFFAOYSA-N
XLogP-0.36
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
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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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine?
The IUPAC name of 2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine (CID 16727466) is 2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine?
The canonical SMILES for 2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine is CCC(CN)NCCNC(CC)CN.
What is the InChIKey of 2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine?
The InChIKey is UMJJHUCVPXAKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4/c1-3-9(7-11)13-5-6-14-10(4-2)8-12/h9-10,13-14H,3-8,11-12H2,1-2H3.
What are the key properties of 2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine?
2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine has a molecular weight of 202.35 g/mol, XLogP of -0.36, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine is sourced from PubChem (CID 16727466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).