benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate

C19H31N3O2 — CID 124746821

IUPACbenzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate
SMILESCC(C)N(CCN)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H31N3O2/c1-15(2)22(13-12-20)18-11-7-6-10-17(18)21-19(23)24-14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14,20H2,1-2H3,(H,21,23)/t17-,18-/m1/s1
InChIKeyNSNJJHAYNYRHKN-QZTJIDSGSA-N
MW333.48 g/mol
LogP2.89
Rot. Bonds7

About benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate

benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate (PubChem CID 124746821) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate
PubChem CID124746821
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Namebenzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate
SMILESCC(C)N(CCN)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H31N3O2/c1-15(2)22(13-12-20)18-11-7-6-10-17(18)21-19(23)24-14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14,20H2,1-2H3,(H,21,23)/t17-,18-/m1/s1
InChIKeyNSNJJHAYNYRHKN-QZTJIDSGSA-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

Analyze benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate with MolForge

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Related Compounds

2-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclohexyl]-propan-2-ylamino]acetic acid
CID 124859504
benzyl N-[(1R,2R)-2-[2-aminoethyl(cyclopropyl)amino]cyclohexyl]carbamate
CID 96552360
benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate
CID 66564369
benzyl N-[2-(dimethylamino)cyclopentyl]carbamate
CID 23349723
benzyl N-[(1S,2R)-2-[(2-chloroacetyl)-propan-2-ylamino]cyclohexyl]carbamate
CID 96552577
benzyl N-[2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]cyclohexyl]carbamate
CID 66564953
(2S)-2-amino-N-[(1R,2S)-2-[benzyl(propan-2-yl)amino]cyclohexyl]-3-methylbutanamide
CID 96552117
2-amino-N-[(2S)-2-[benzyl(propan-2-yl)amino]cyclohexyl]-3-methylbutanamide
CID 121226052
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate?
The IUPAC name of benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate (CID 124746821) is benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate is CC(C)N(CCN)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate?
The InChIKey is NSNJJHAYNYRHKN-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(2)22(13-12-20)18-11-7-6-10-17(18)21-19(23)24-14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14,20H2,1-2H3,(H,21,23)/t17-,18-/m1/s1.
What are the key properties of benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate?
benzyl N-[(1R,2R)-2-[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-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 124746821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).