(E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine

C13H29N3 — CID 137383122

IUPAC(E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine
SMILESCC/C=C(\CN(C)C)NC(CC)NC(C)C
InChIInChI=1S/C13H29N3/c1-7-9-12(10-16(5)6)15-13(8-2)14-11(3)4/h9,11,13-15H,7-8,10H2,1-6H3/b12-9+
InChIKeyYADZKLPHDYSGNK-FMIVXFBMSA-N
MW227.40 g/mol
LogP2.17
Rot. Bonds8

About (E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine

(E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine (PubChem CID 137383122) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is (E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine
PubChem CID137383122
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name(E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine
SMILESCC/C=C(\CN(C)C)NC(CC)NC(C)C
InChIInChI=1S/C13H29N3/c1-7-9-12(10-16(5)6)15-13(8-2)14-11(3)4/h9,11,13-15H,7-8,10H2,1-6H3/b12-9+
InChIKeyYADZKLPHDYSGNK-FMIVXFBMSA-N
XLogP2.17
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine?
The IUPAC name of (E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine (CID 137383122) is (E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine.
What is the SMILES notation for (E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine?
The canonical SMILES for (E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine is CC/C=C(\CN(C)C)NC(CC)NC(C)C.
What is the InChIKey of (E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine?
The InChIKey is YADZKLPHDYSGNK-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H29N3/c1-7-9-12(10-16(5)6)15-13(8-2)14-11(3)4/h9,11,13-15H,7-8,10H2,1-6H3/b12-9+.
What are the key properties of (E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine?
(E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine is sourced from PubChem (CID 137383122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).