N-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine

C14H27N3 — CID 143716992

IUPACN-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine
SMILESCC/C=C(\C=N/CNC1CCCCC1)CNC
InChIInChI=1S/C14H27N3/c1-3-7-13(10-15-2)11-16-12-17-14-8-5-4-6-9-14/h7,11,14-15,17H,3-6,8-10,12H2,1-2H3/b13-7-,16-11-
InChIKeySNMBCBIOHYRLKJ-CWIKFWDDSA-N
MW237.39 g/mol
LogP2.49
Rot. Bonds7

About N-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine

N-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine (PubChem CID 143716992) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine
PubChem CID143716992
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine
SMILESCC/C=C(\C=N/CNC1CCCCC1)CNC
InChIInChI=1S/C14H27N3/c1-3-7-13(10-15-2)11-16-12-17-14-8-5-4-6-9-14/h7,11,14-15,17H,3-6,8-10,12H2,1-2H3/b13-7-,16-11-
InChIKeySNMBCBIOHYRLKJ-CWIKFWDDSA-N
XLogP2.49
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine?
The IUPAC name of N-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine (CID 143716992) is N-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine.
What is the SMILES notation for N-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine?
The canonical SMILES for N-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine is CC/C=C(\C=N/CNC1CCCCC1)CNC.
What is the InChIKey of N-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine?
The InChIKey is SNMBCBIOHYRLKJ-CWIKFWDDSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-7-13(10-15-2)11-16-12-17-14-8-5-4-6-9-14/h7,11,14-15,17H,3-6,8-10,12H2,1-2H3/b13-7-,16-11-.
What are the key properties of N-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine?
N-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine has a molecular weight of 237.39 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine is sourced from PubChem (CID 143716992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).