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

C19H29N3O2 — CID 96552360

IUPACbenzyl N-[(1R,2R)-2-[2-aminoethyl(cyclopropyl)amino]cyclohexyl]carbamate
SMILESNCCN(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H29N3O2/c20-12-13-22(16-10-11-16)18-9-5-4-8-17(18)21-19(23)24-14-15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14,20H2,(H,21,23)/t17-,18-/m1/s1
InChIKeyASJWIBRFFMOXHH-QZTJIDSGSA-N
MW331.46 g/mol
LogP2.65
Rot. Bonds7

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

benzyl N-[(1R,2R)-2-[2-aminoethyl(cyclopropyl)amino]cyclohexyl]carbamate (PubChem CID 96552360) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is benzyl N-[(1R,2R)-2-[2-aminoethyl(cyclopropyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2R)-2-[2-aminoethyl(cyclopropyl)amino]cyclohexyl]carbamate
PubChem CID96552360
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Namebenzyl N-[(1R,2R)-2-[2-aminoethyl(cyclopropyl)amino]cyclohexyl]carbamate
SMILESNCCN(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H29N3O2/c20-12-13-22(16-10-11-16)18-9-5-4-8-17(18)21-19(23)24-14-15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14,20H2,(H,21,23)/t17-,18-/m1/s1
InChIKeyASJWIBRFFMOXHH-QZTJIDSGSA-N
XLogP2.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.65
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
benzyl N-[2-(dimethylamino)cyclopentyl]carbamate
CID 23349723
2-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclohexyl]-propan-2-ylamino]acetic acid
CID 124859504
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]cyclohexyl]carbamate
CID 66564953
benzyl N-[(1S,2R)-2-[(2-chloroacetyl)-propan-2-ylamino]cyclohexyl]carbamate
CID 96552577
benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate
CID 66564369
benzyl N-[(2S)-2-formylcyclohexyl]carbamate
CID 89323392

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2R)-2-[2-aminoethyl(cyclopropyl)amino]cyclohexyl]carbamate?
The IUPAC name of benzyl N-[(1R,2R)-2-[2-aminoethyl(cyclopropyl)amino]cyclohexyl]carbamate (CID 96552360) is benzyl N-[(1R,2R)-2-[2-aminoethyl(cyclopropyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2R)-2-[2-aminoethyl(cyclopropyl)amino]cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[(1R,2R)-2-[2-aminoethyl(cyclopropyl)amino]cyclohexyl]carbamate is NCCN(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2R)-2-[2-aminoethyl(cyclopropyl)amino]cyclohexyl]carbamate?
The InChIKey is ASJWIBRFFMOXHH-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H29N3O2/c20-12-13-22(16-10-11-16)18-9-5-4-8-17(18)21-19(23)24-14-15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14,20H2,(H,21,23)/t17-,18-/m1/s1.
What are the key properties of benzyl N-[(1R,2R)-2-[2-aminoethyl(cyclopropyl)amino]cyclohexyl]carbamate?
benzyl N-[(1R,2R)-2-[2-aminoethyl(cyclopropyl)amino]cyclohexyl]carbamate has a molecular weight of 331.46 g/mol, XLogP of 2.65, 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(cyclopropyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 96552360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).