1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea

C14H29N3O2 — CID 63870429

IUPAC1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea
SMILESCC(C)(C)NC(=O)NCCCOC1CCC(N)CC1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)17-13(18)16-9-4-10-19-12-7-5-11(15)6-8-12/h11-12H,4-10,15H2,1-3H3,(H2,16,17,18)
InChIKeyGDDMDNFLXGYPJF-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.76
Rot. Bonds5

About 1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea

1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea (PubChem CID 63870429) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea.

Molecular Properties

Compound Name1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea
PubChem CID63870429
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea
SMILESCC(C)(C)NC(=O)NCCCOC1CCC(N)CC1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)17-13(18)16-9-4-10-19-12-7-5-11(15)6-8-12/h11-12H,4-10,15H2,1-3H3,(H2,16,17,18)
InChIKeyGDDMDNFLXGYPJF-UHFFFAOYSA-N
XLogP1.76
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768
N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949472
2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate
CID 63870091
N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide
CID 112603398
N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylpropane-2-sulfonamide
CID 63870336
3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide
CID 56814193
(2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide
CID 98574633
N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide
CID 63871820
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide
CID 63870310
N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide
CID 103514165
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide
CID 63871143
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide
CID 103120763

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea?
The IUPAC name of 1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea (CID 63870429) is 1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea.
What is the SMILES notation for 1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea?
The canonical SMILES for 1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea is CC(C)(C)NC(=O)NCCCOC1CCC(N)CC1.
What is the InChIKey of 1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea?
The InChIKey is GDDMDNFLXGYPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,3)17-13(18)16-9-4-10-19-12-7-5-11(15)6-8-12/h11-12H,4-10,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea?
1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea has a molecular weight of 271.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea is sourced from PubChem (CID 63870429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).