1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine

C8H23N5 — CID 87276093

IUPAC1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine
SMILESNCCC(N)CN(CCN)CCN
InChIInChI=1S/C8H23N5/c9-2-1-8(12)7-13(5-3-10)6-4-11/h8H,1-7,9-12H2
InChIKeyPQJBXFDRLBZVAH-UHFFFAOYSA-N
MW189.31 g/mol
LogP-2.12
Rot. Bonds8

About 1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine

1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine (PubChem CID 87276093) has the molecular formula C8H23N5 and a molecular weight of 189.31 g/mol. Its IUPAC name is 1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine.

Molecular Properties

Compound Name1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine
PubChem CID87276093
Molecular FormulaC8H23N5
Molecular Weight189.31 g/mol
Exact Mass189.20
IUPAC Name1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine
SMILESNCCC(N)CN(CCN)CCN
InChIInChI=1S/C8H23N5/c9-2-1-8(12)7-13(5-3-10)6-4-11/h8H,1-7,9-12H2
InChIKeyPQJBXFDRLBZVAH-UHFFFAOYSA-N
XLogP-2.12
TPSA107.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine?
The IUPAC name of 1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine (CID 87276093) is 1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine.
What is the SMILES notation for 1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine?
The canonical SMILES for 1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine is NCCC(N)CN(CCN)CCN.
What is the InChIKey of 1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine?
The InChIKey is PQJBXFDRLBZVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H23N5/c9-2-1-8(12)7-13(5-3-10)6-4-11/h8H,1-7,9-12H2.
What are the key properties of 1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine?
1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine has a molecular weight of 189.31 g/mol, XLogP of -2.12, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine is sourced from PubChem (CID 87276093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).