5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine

C13H25N3 — CID 126748512

IUPAC5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine
SMILESC=C(C)NC(=C)C(C)(CNC)CC(=C)NC
InChIInChI=1S/C13H25N3/c1-10(2)16-12(4)13(5,9-14-6)8-11(3)15-7/h14-16H,1,3-4,8-9H2,2,5-7H3
InChIKeyPONPNZIJWMDQST-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.97
Rot. Bonds8

About 5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine

5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine (PubChem CID 126748512) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine.

Molecular Properties

Compound Name5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine
PubChem CID126748512
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine
SMILESC=C(C)NC(=C)C(C)(CNC)CC(=C)NC
InChIInChI=1S/C13H25N3/c1-10(2)16-12(4)13(5,9-14-6)8-11(3)15-7/h14-16H,1,3-4,8-9H2,2,5-7H3
InChIKeyPONPNZIJWMDQST-UHFFFAOYSA-N
XLogP1.97
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine?
The IUPAC name of 5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine (CID 126748512) is 5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine.
What is the SMILES notation for 5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine?
The canonical SMILES for 5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine is C=C(C)NC(=C)C(C)(CNC)CC(=C)NC.
What is the InChIKey of 5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine?
The InChIKey is PONPNZIJWMDQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)16-12(4)13(5,9-14-6)8-11(3)15-7/h14-16H,1,3-4,8-9H2,2,5-7H3.
What are the key properties of 5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine?
5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine has a molecular weight of 223.36 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine is sourced from PubChem (CID 126748512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).