(Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine

C13H27N3 — CID 146396057

IUPAC(Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine
SMILESC/C=C(/CCNC(C)(C)CC)N(C)/C=C\N
InChIInChI=1S/C13H27N3/c1-6-12(16(5)11-9-14)8-10-15-13(3,4)7-2/h6,9,11,15H,7-8,10,14H2,1-5H3/b11-9-,12-6-
InChIKeyURPBVTZCLBVLAB-QPRCWUMCSA-N
MW225.38 g/mol
LogP2.42
Rot. Bonds7

About (Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine

(Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine (PubChem CID 146396057) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is (Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine
PubChem CID146396057
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name(Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine
SMILESC/C=C(/CCNC(C)(C)CC)N(C)/C=C\N
InChIInChI=1S/C13H27N3/c1-6-12(16(5)11-9-14)8-10-15-13(3,4)7-2/h6,9,11,15H,7-8,10,14H2,1-5H3/b11-9-,12-6-
InChIKeyURPBVTZCLBVLAB-QPRCWUMCSA-N
XLogP2.42
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine?
The IUPAC name of (Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine (CID 146396057) is (Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine.
What is the SMILES notation for (Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine?
The canonical SMILES for (Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine is C/C=C(/CCNC(C)(C)CC)N(C)/C=C\N.
What is the InChIKey of (Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine?
The InChIKey is URPBVTZCLBVLAB-QPRCWUMCSA-N. The full InChI is InChI=1S/C13H27N3/c1-6-12(16(5)11-9-14)8-10-15-13(3,4)7-2/h6,9,11,15H,7-8,10,14H2,1-5H3/b11-9-,12-6-.
What are the key properties of (Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine?
(Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine has a molecular weight of 225.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-[(Z)-2-aminoethenyl]-3-N-methyl-1-N-(2-methylbutan-2-yl)pent-3-ene-1,3-diamine is sourced from PubChem (CID 146396057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).