N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine

C16H38N4 — CID 10334212

IUPACN,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine
SMILESCC(C)NCCCNCCCCNCCCNC(C)C
InChIInChI=1S/C16H38N4/c1-15(2)19-13-7-11-17-9-5-6-10-18-12-8-14-20-16(3)4/h15-20H,5-14H2,1-4H3
InChIKeyDBPFTTLMMLBIMD-UHFFFAOYSA-N
MW286.51 g/mol
LogP1.72
Rot. Bonds15

About N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine

N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine (PubChem CID 10334212) has the molecular formula C16H38N4 and a molecular weight of 286.51 g/mol. Its IUPAC name is N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine
PubChem CID10334212
Molecular FormulaC16H38N4
Molecular Weight286.51 g/mol
Exact Mass286.31
IUPAC NameN,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine
SMILESCC(C)NCCCNCCCCNCCCNC(C)C
InChIInChI=1S/C16H38N4/c1-15(2)19-13-7-11-17-9-5-6-10-18-12-8-14-20-16(3)4/h15-20H,5-14H2,1-4H3
InChIKeyDBPFTTLMMLBIMD-UHFFFAOYSA-N
XLogP1.72
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 51.72
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 N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine?
The IUPAC name of N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine (CID 10334212) is N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine.
What is the SMILES notation for N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine?
The canonical SMILES for N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine is CC(C)NCCCNCCCCNCCCNC(C)C.
What is the InChIKey of N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine?
The InChIKey is DBPFTTLMMLBIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N4/c1-15(2)19-13-7-11-17-9-5-6-10-18-12-8-14-20-16(3)4/h15-20H,5-14H2,1-4H3.
What are the key properties of N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine?
N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine has a molecular weight of 286.51 g/mol, XLogP of 1.72, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine is sourced from PubChem (CID 10334212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).