2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine

C21H36N2O2 — CID 145176296

IUPAC2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine
SMILESCC/C=C\c1ccccc1.CCCNC1CCCCC1.NCC(=O)O
InChIInChI=1S/C10H12.C9H19N.C2H5NO2/c1-2-3-7-10-8-5-4-6-9-10;1-2-8-10-9-6-4-3-5-7-9;3-1-2(4)5/h3-9H,2H2,1H3;9-10H,2-8H2,1H3;1,3H2,(H,4,5)/b7-3-;;
InChIKeyZMYGKTAXQAOYMJ-NAMRTZQUSA-N
MW348.53 g/mol
LogP4.46
Rot. Bonds6

About 2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine

2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine (PubChem CID 145176296) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine.

Molecular Properties

Compound Name2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine
PubChem CID145176296
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC Name2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine
SMILESCC/C=C\c1ccccc1.CCCNC1CCCCC1.NCC(=O)O
InChIInChI=1S/C10H12.C9H19N.C2H5NO2/c1-2-3-7-10-8-5-4-6-9-10;1-2-8-10-9-6-4-3-5-7-9;3-1-2(4)5/h3-9H,2H2,1H3;9-10H,2-8H2,1H3;1,3H2,(H,4,5)/b7-3-;;
InChIKeyZMYGKTAXQAOYMJ-NAMRTZQUSA-N
XLogP4.46
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(Z)-prop-1-enyl]benzene;4-[[4-(propylamino)cyclohexyl]amino]butanoic acid
CID 145176242
[(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one
CID 145176263
benzene;but-1-enylbenzene
CID 157481332
acetyloxysilyl acetate;but-1-enylbenzene
CID 174652412
N-propylcyclohexanamine;hydrochloride
CID 17370003
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;sulfuric acid
CID 22994805
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
[(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate
CID 145176235
(E)-2-cyclopentyl-5-phenylpent-4-enoic acid
CID 112569291
4-N-cyclohexyl-1-N-propylcyclohexane-1,4-diamine
CID 82934190
1-[3-(3-phenylprop-2-enyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 54472688

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine?
The IUPAC name of 2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine (CID 145176296) is 2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine.
What is the SMILES notation for 2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine?
The canonical SMILES for 2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine is CC/C=C\c1ccccc1.CCCNC1CCCCC1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine?
The InChIKey is ZMYGKTAXQAOYMJ-NAMRTZQUSA-N. The full InChI is InChI=1S/C10H12.C9H19N.C2H5NO2/c1-2-3-7-10-8-5-4-6-9-10;1-2-8-10-9-6-4-3-5-7-9;3-1-2(4)5/h3-9H,2H2,1H3;9-10H,2-8H2,1H3;1,3H2,(H,4,5)/b7-3-;;.
What are the key properties of 2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine?
2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine has a molecular weight of 348.53 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;[(Z)-but-1-enyl]benzene;N-propylcyclohexanamine is sourced from PubChem (CID 145176296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).