benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate

C19H31N3O2 — CID 66564369

IUPACbenzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate
SMILESCC(C)N(CCN)C1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-15(2)22(13-12-20)18-10-8-17(9-11-18)21-19(23)24-14-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14,20H2,1-2H3,(H,21,23)
InChIKeyCMOGGQYLBFWIAU-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.89
Rot. Bonds7

About benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate

benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate (PubChem CID 66564369) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate
PubChem CID66564369
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Namebenzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate
SMILESCC(C)N(CCN)C1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-15(2)22(13-12-20)18-10-8-17(9-11-18)21-19(23)24-14-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14,20H2,1-2H3,(H,21,23)
InChIKeyCMOGGQYLBFWIAU-UHFFFAOYSA-N
XLogP2.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate
CID 124746821
2-[methyl-[4-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 66563958
benzyl N-[4-[(2-amino-3-methylbutanoyl)-methylamino]cyclohexyl]carbamate
CID 77143795
benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate
CID 66564308
2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide
CID 66564020
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl 3-[2-aminoethyl(propan-2-yl)amino]piperidine-1-carboxylate
CID 66564362
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
CID 134282830
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate?
The IUPAC name of benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate (CID 66564369) is benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate is CC(C)N(CCN)C1CCC(NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate?
The InChIKey is CMOGGQYLBFWIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(2)22(13-12-20)18-10-8-17(9-11-18)21-19(23)24-14-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14,20H2,1-2H3,(H,21,23).
What are the key properties of benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate?
benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate has a molecular weight of 333.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 66564369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).