N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine

C19H36N2 — CID 103069022

IUPACN,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H36N2/c1-3-14-20-15-17(2)16-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h18-20H,2-16H2,1H3
InChIKeyGYQLMDDHZNVWMO-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.51
Rot. Bonds8

About N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine

N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine (PubChem CID 103069022) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine
PubChem CID103069022
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine
SMILESC=C(CNCCC)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H36N2/c1-3-14-20-15-17(2)16-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h18-20H,2-16H2,1H3
InChIKeyGYQLMDDHZNVWMO-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
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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Related Compounds

N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine
CID 103069465
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N-propylprop-2-en-1-amine
CID 103071135
2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 103070001
2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069561
2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069520
2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 106495349
[1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069579
N-cyclopentyl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine
CID 103069362
1-(dicyclohexylamino)propan-2-one
CID 43219211
1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol
CID 103070338
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683
1-N,1-N-dicyclohexyl-3-N-hexylbut-3-ene-1,3-diamine
CID 167073405

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine?
The IUPAC name of N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine (CID 103069022) is N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine?
The canonical SMILES for N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine is C=C(CNCCC)CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine?
The InChIKey is GYQLMDDHZNVWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-3-14-20-15-17(2)16-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h18-20H,2-16H2,1H3.
What are the key properties of N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine?
N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine has a molecular weight of 292.51 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 103069022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).