(E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine

C14H28N2 — CID 155733417

IUPAC(E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine
SMILESC=C(C)[C@@H](CC)N(C)C/C(C)=C(\CC)NC
InChIInChI=1S/C14H28N2/c1-8-13(15-6)12(5)10-16(7)14(9-2)11(3)4/h14-15H,3,8-10H2,1-2,4-7H3/b13-12+/t14-/m1/s1
InChIKeyUEWRTCFIQQONTG-XTZCOPOCSA-N
MW224.39 g/mol
LogP3.18
Rot. Bonds7

About (E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine

(E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine (PubChem CID 155733417) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine
PubChem CID155733417
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine
SMILESC=C(C)[C@@H](CC)N(C)C/C(C)=C(\CC)NC
InChIInChI=1S/C14H28N2/c1-8-13(15-6)12(5)10-16(7)14(9-2)11(3)4/h14-15H,3,8-10H2,1-2,4-7H3/b13-12+/t14-/m1/s1
InChIKeyUEWRTCFIQQONTG-XTZCOPOCSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine?
The IUPAC name of (E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine (CID 155733417) is (E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine.
What is the SMILES notation for (E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine?
The canonical SMILES for (E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine is C=C(C)[C@@H](CC)N(C)C/C(C)=C(\CC)NC.
What is the InChIKey of (E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine?
The InChIKey is UEWRTCFIQQONTG-XTZCOPOCSA-N. The full InChI is InChI=1S/C14H28N2/c1-8-13(15-6)12(5)10-16(7)14(9-2)11(3)4/h14-15H,3,8-10H2,1-2,4-7H3/b13-12+/t14-/m1/s1.
What are the key properties of (E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine?
(E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine is sourced from PubChem (CID 155733417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).