(Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde

C20H42N2O — CID 178080464

IUPAC(Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde
SMILESC/C(N)=C/NC1CCCCC1.C=O.CCCCC(CC)CCC
InChIInChI=1S/C10H22.C9H18N2.CH2O/c1-4-7-9-10(6-3)8-5-2;1-8(10)7-11-9-5-3-2-4-6-9;1-2/h10H,4-9H2,1-3H3;7,9,11H,2-6,10H2,1H3;1H2/b;8-7-;
InChIKeyTUICXGNNLJZTQC-HXIBTQJOSA-N
MW326.57 g/mol
LogP5.55
Rot. Bonds8

About (Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde

(Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde (PubChem CID 178080464) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is (Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde.

Molecular Properties

Compound Name(Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde
PubChem CID178080464
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC Name(Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde
SMILESC/C(N)=C/NC1CCCCC1.C=O.CCCCC(CC)CCC
InChIInChI=1S/C10H22.C9H18N2.CH2O/c1-4-7-9-10(6-3)8-5-2;1-8(10)7-11-9-5-3-2-4-6-9;1-2/h10H,4-9H2,1-3H3;7,9,11H,2-6,10H2,1H3;1H2/b;8-7-;
InChIKeyTUICXGNNLJZTQC-HXIBTQJOSA-N
XLogP5.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide
CID 7298055
N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
CID 81392135
N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine
CID 63492618
5-ethylnonane;5-propylnonane
CID 157441807
N-cyclooctyl-2-ethylhexanamide
CID 3989939
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
butylcyclohexane;4-ethylundecane
CID 174961774
1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine
CID 19826639
(1-cyclohexyl-4-ethyloctan-2-yl)hydrazine
CID 105288306
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine
CID 103711686
methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate
CID 107816750

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde?
The IUPAC name of (Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde (CID 178080464) is (Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde.
What is the SMILES notation for (Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde?
The canonical SMILES for (Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde is C/C(N)=C/NC1CCCCC1.C=O.CCCCC(CC)CCC.
What is the InChIKey of (Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde?
The InChIKey is TUICXGNNLJZTQC-HXIBTQJOSA-N. The full InChI is InChI=1S/C10H22.C9H18N2.CH2O/c1-4-7-9-10(6-3)8-5-2;1-8(10)7-11-9-5-3-2-4-6-9;1-2/h10H,4-9H2,1-3H3;7,9,11H,2-6,10H2,1H3;1H2/b;8-7-;.
What are the key properties of (Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde?
(Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde has a molecular weight of 326.57 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-cyclohexylprop-1-ene-1,2-diamine;4-ethyloctane;formaldehyde is sourced from PubChem (CID 178080464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).