tert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate

C15H29N3O2 — CID 107237046

IUPACtert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNC1CCCCC1C1CCCN1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-17-13-8-5-4-7-11(13)12-9-6-10-16-12/h11-13,16-17H,4-10H2,1-3H3,(H,18,19)
InChIKeyMRCYRQREKCACOK-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.33
Rot. Bonds3

About tert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate

tert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate (PubChem CID 107237046) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is tert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate
PubChem CID107237046
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nametert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNC1CCCCC1C1CCCN1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-17-13-8-5-4-7-11(13)12-9-6-10-16-12/h11-13,16-17H,4-10H2,1-3H3,(H,18,19)
InChIKeyMRCYRQREKCACOK-UHFFFAOYSA-N
XLogP2.33
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(cyclododecylamino)carbamate
CID 107236860
tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate
CID 71023711
N-(2-methoxy-2-methylpropyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 104759516
methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate
CID 12741296
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]carbamate
CID 42604411
2-methyl-N-(2-piperidin-2-ylcyclohexyl)cyclohexan-1-amine
CID 79553482
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate
CID 82379476
N-[3-(2-methoxyethoxy)propyl]-2-piperidin-2-ylcyclohexan-1-amine
CID 79541663
tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate
CID 15503758
tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 107251466
4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid
CID 79541389

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate (CID 107237046) is tert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate is CC(C)(C)OC(=O)NNC1CCCCC1C1CCCN1.
What is the InChIKey of tert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate?
The InChIKey is MRCYRQREKCACOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-17-13-8-5-4-7-11(13)12-9-6-10-16-12/h11-13,16-17H,4-10H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate?
tert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate has a molecular weight of 283.42 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-pyrrolidin-2-ylcyclohexyl)amino]carbamate is sourced from PubChem (CID 107237046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).