1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine

C14H35N5 — CID 11208063

IUPAC1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine
SMILESCCNCCCNCCC(N)CNCCCNCC
InChIInChI=1S/C14H35N5/c1-3-16-8-5-10-18-12-7-14(15)13-19-11-6-9-17-4-2/h14,16-19H,3-13,15H2,1-2H3
InChIKeyJHKFBFYCWKXNIG-UHFFFAOYSA-N
MW273.47 g/mol
LogP-0.12
Rot. Bonds15

About 1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine

1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine (PubChem CID 11208063) has the molecular formula C14H35N5 and a molecular weight of 273.47 g/mol. Its IUPAC name is 1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine.

Molecular Properties

Compound Name1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine
PubChem CID11208063
Molecular FormulaC14H35N5
Molecular Weight273.47 g/mol
Exact Mass273.29
IUPAC Name1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine
SMILESCCNCCCNCCC(N)CNCCCNCC
InChIInChI=1S/C14H35N5/c1-3-16-8-5-10-18-12-7-14(15)13-19-11-6-9-17-4-2/h14,16-19H,3-13,15H2,1-2H3
InChIKeyJHKFBFYCWKXNIG-UHFFFAOYSA-N
XLogP-0.12
TPSA74.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.47
LogP ≤ 5-0.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine?
The IUPAC name of 1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine (CID 11208063) is 1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine.
What is the SMILES notation for 1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine?
The canonical SMILES for 1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine is CCNCCCNCCC(N)CNCCCNCC.
What is the InChIKey of 1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine?
The InChIKey is JHKFBFYCWKXNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H35N5/c1-3-16-8-5-10-18-12-7-14(15)13-19-11-6-9-17-4-2/h14,16-19H,3-13,15H2,1-2H3.
What are the key properties of 1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine?
1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine has a molecular weight of 273.47 g/mol, XLogP of -0.12, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine is sourced from PubChem (CID 11208063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).