N'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine

C15H30N2 — CID 166884589

IUPACN'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine
SMILESC=CCC1CCCC(CNCCNC(C)C)C1
InChIInChI=1S/C15H30N2/c1-4-6-14-7-5-8-15(11-14)12-16-9-10-17-13(2)3/h4,13-17H,1,5-12H2,2-3H3
InChIKeyGKYGRLXFJOAWJD-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.96
Rot. Bonds8

About N'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine

N'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine (PubChem CID 166884589) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine
PubChem CID166884589
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine
SMILESC=CCC1CCCC(CNCCNC(C)C)C1
InChIInChI=1S/C15H30N2/c1-4-6-14-7-5-8-15(11-14)12-16-9-10-17-13(2)3/h4,13-17H,1,5-12H2,2-3H3
InChIKeyGKYGRLXFJOAWJD-UHFFFAOYSA-N
XLogP2.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine (CID 166884589) is N'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine is C=CCC1CCCC(CNCCNC(C)C)C1.
What is the InChIKey of N'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine?
The InChIKey is GKYGRLXFJOAWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-6-14-7-5-8-15(11-14)12-16-9-10-17-13(2)3/h4,13-17H,1,5-12H2,2-3H3.
What are the key properties of N'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine?
N'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-[(3-prop-2-enylcyclohexyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 166884589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).