methyl N,N-bis(4-aminocyclohexyl)carbamate

C14H27N3O2 — CID 91393398

IUPACmethyl N,N-bis(4-aminocyclohexyl)carbamate
SMILESCOC(=O)N(C1CCC(N)CC1)C1CCC(N)CC1
InChIInChI=1S/C14H27N3O2/c1-19-14(18)17(12-6-2-10(15)3-7-12)13-8-4-11(16)5-9-13/h10-13H,2-9,15-16H2,1H3
InChIKeyNECFOVSILRBBIW-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.59
Rot. Bonds2

About methyl N,N-bis(4-aminocyclohexyl)carbamate

methyl N,N-bis(4-aminocyclohexyl)carbamate (PubChem CID 91393398) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is methyl N,N-bis(4-aminocyclohexyl)carbamate.

Molecular Properties

Compound Namemethyl N,N-bis(4-aminocyclohexyl)carbamate
PubChem CID91393398
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Namemethyl N,N-bis(4-aminocyclohexyl)carbamate
SMILESCOC(=O)N(C1CCC(N)CC1)C1CCC(N)CC1
InChIInChI=1S/C14H27N3O2/c1-19-14(18)17(12-6-2-10(15)3-7-12)13-8-4-11(16)5-9-13/h10-13H,2-9,15-16H2,1H3
InChIKeyNECFOVSILRBBIW-UHFFFAOYSA-N
XLogP1.59
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N,N-bis(4-aminocyclohexyl)carbamate?
The IUPAC name of methyl N,N-bis(4-aminocyclohexyl)carbamate (CID 91393398) is methyl N,N-bis(4-aminocyclohexyl)carbamate.
What is the SMILES notation for methyl N,N-bis(4-aminocyclohexyl)carbamate?
The canonical SMILES for methyl N,N-bis(4-aminocyclohexyl)carbamate is COC(=O)N(C1CCC(N)CC1)C1CCC(N)CC1.
What is the InChIKey of methyl N,N-bis(4-aminocyclohexyl)carbamate?
The InChIKey is NECFOVSILRBBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-19-14(18)17(12-6-2-10(15)3-7-12)13-8-4-11(16)5-9-13/h10-13H,2-9,15-16H2,1H3.
What are the key properties of methyl N,N-bis(4-aminocyclohexyl)carbamate?
methyl N,N-bis(4-aminocyclohexyl)carbamate has a molecular weight of 269.39 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-bis(4-aminocyclohexyl)carbamate is sourced from PubChem (CID 91393398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).