tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate

C18H35N3O2 — CID 107255751

IUPACtert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(NC2CCC(N)CC2)CC1
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)21(4)16-11-9-15(10-12-16)20-14-7-5-13(19)6-8-14/h13-16,20H,5-12,19H2,1-4H3
InChIKeyZPALRHCBSYHSAE-UHFFFAOYSA-N
MW325.50 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate

tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate (PubChem CID 107255751) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
PubChem CID107255751
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(NC2CCC(N)CC2)CC1
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)21(4)16-11-9-15(10-12-16)20-14-7-5-13(19)6-8-14/h13-16,20H,5-12,19H2,1-4H3
InChIKeyZPALRHCBSYHSAE-UHFFFAOYSA-N
XLogP3.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[4-[(3-methylcyclobutyl)amino]cyclohexyl]carbamate
CID 107255790
tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate
CID 107255892
tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255901
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
CID 146670008
tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
CID 107255742
tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
CID 91554229
methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate
CID 107255820
3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]propanoic acid
CID 22567910
tert-butyl N-[4-[[2-(hydroxymethyl)-2-methylbutyl]amino]cyclohexyl]-N-methylcarbamate
CID 107255756
tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 158237625

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate (CID 107255751) is tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCC(NC2CCC(N)CC2)CC1.
What is the InChIKey of tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate?
The InChIKey is ZPALRHCBSYHSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)21(4)16-11-9-15(10-12-16)20-14-7-5-13(19)6-8-14/h13-16,20H,5-12,19H2,1-4H3.
What are the key properties of tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate?
tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate has a molecular weight of 325.50 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 107255751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).