4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine

C15H31N3 — CID 142067876

IUPAC4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine
SMILESC/C=C(\NCCCNC1CCC(N)CC1)C(C)C
InChIInChI=1S/C15H31N3/c1-4-15(12(2)3)18-11-5-10-17-14-8-6-13(16)7-9-14/h4,12-14,17-18H,5-11,16H2,1-3H3/b15-4-
InChIKeyMKIGQICJMYZKOC-TVPGTPATSA-N
MW253.43 g/mol
LogP2.39
Rot. Bonds7

About 4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine

4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine (PubChem CID 142067876) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine
PubChem CID142067876
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine
SMILESC/C=C(\NCCCNC1CCC(N)CC1)C(C)C
InChIInChI=1S/C15H31N3/c1-4-15(12(2)3)18-11-5-10-17-14-8-6-13(16)7-9-14/h4,12-14,17-18H,5-11,16H2,1-3H3/b15-4-
InChIKeyMKIGQICJMYZKOC-TVPGTPATSA-N
XLogP2.39
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine (CID 142067876) is 4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine is C/C=C(\NCCCNC1CCC(N)CC1)C(C)C.
What is the InChIKey of 4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine?
The InChIKey is MKIGQICJMYZKOC-TVPGTPATSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-15(12(2)3)18-11-5-10-17-14-8-6-13(16)7-9-14/h4,12-14,17-18H,5-11,16H2,1-3H3/b15-4-.
What are the key properties of 4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine?
4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine has a molecular weight of 253.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 142067876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).