2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate

C14H28N2O3 — CID 63870091

IUPAC2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate
SMILESCC(C)COC(=O)NCCCOC1CCC(N)CC1
InChIInChI=1S/C14H28N2O3/c1-11(2)10-19-14(17)16-8-3-9-18-13-6-4-12(15)5-7-13/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyRVBBEHDKHWAPAK-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.05
Rot. Bonds7

About 2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate

2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate (PubChem CID 63870091) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate
PubChem CID63870091
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate
SMILESCC(C)COC(=O)NCCCOC1CCC(N)CC1
InChIInChI=1S/C14H28N2O3/c1-11(2)10-19-14(17)16-8-3-9-18-13-6-4-12(15)5-7-13/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyRVBBEHDKHWAPAK-UHFFFAOYSA-N
XLogP2.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide
CID 112603398
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768
2-methylpropyl N-(2-piperidin-4-yloxyethyl)carbamate
CID 63871589
1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea
CID 63870429
N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949472
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide
CID 63870310
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
CID 63869286
N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide
CID 103514165
2-methylpropyl N-[3-(methylamino)propyl]carbamate
CID 43602360
2-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275790
(2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide
CID 98574633

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate?
The IUPAC name of 2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate (CID 63870091) is 2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate is CC(C)COC(=O)NCCCOC1CCC(N)CC1.
What is the InChIKey of 2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate?
The InChIKey is RVBBEHDKHWAPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)10-19-14(17)16-8-3-9-18-13-6-4-12(15)5-7-13/h11-13H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate?
2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate is sourced from PubChem (CID 63870091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).