1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea

C14H29N3O2 — CID 56813970

IUPAC1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea
SMILESCC(C)CC(CNC(=O)NCC1CCCO1)N(C)C
InChIInChI=1S/C14H29N3O2/c1-11(2)8-12(17(3)4)9-15-14(18)16-10-13-6-5-7-19-13/h11-13H,5-10H2,1-4H3,(H2,15,16,18)
InChIKeyAFWPYZOAPGERFQ-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.44
Rot. Bonds7

About 1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea

1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 56813970) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID56813970
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea
SMILESCC(C)CC(CNC(=O)NCC1CCCO1)N(C)C
InChIInChI=1S/C14H29N3O2/c1-11(2)8-12(17(3)4)9-15-14(18)16-10-13-6-5-7-19-13/h11-13H,5-10H2,1-4H3,(H2,15,16,18)
InChIKeyAFWPYZOAPGERFQ-UHFFFAOYSA-N
XLogP1.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(diethylamino)-N-(oxolan-2-ylmethyl)carboxamide
CID 2985186
N,N-diethyl-2-(oxolan-2-ylmethylcarbamoylamino)propanamide
CID 53625961
1-(2-Hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea
CID 71846056
1-(3,3-Dimethylbutan-2-yl)-3-(oxolan-2-ylmethyl)urea
CID 72136625
1-(Oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 23789900
1-Cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea
CID 58376839
1-Ethyl-3-(oxolan-2-ylmethyl)urea
CID 58817778
5-(3-Ethoxypropyl)-1-(2-methoxyethyl)imidazolidin-2-one
CID 68113637
1-[(3R,5S)-1-[(2S)-3-amino-2-methylpropyl]-5-(propoxymethyl)pyrrolidin-3-yl]-3-methylurea
CID 89495151
2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide
CID 90224450
1-[1-(Oxolan-2-yl)ethyl]-3-propan-2-ylurea
CID 115582549
1-[(2-Methyloxolan-2-yl)methyl]-3-propan-2-ylurea
CID 115686524

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea (CID 56813970) is 1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea is CC(C)CC(CNC(=O)NCC1CCCO1)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is AFWPYZOAPGERFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(2)8-12(17(3)4)9-15-14(18)16-10-13-6-5-7-19-13/h11-13H,5-10H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea?
1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 271.40 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 56813970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).