1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea

C12H26N2O — CID 116654960

IUPAC1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea
SMILESCCCCCN(C(=O)N(C)CC)C(C)C
InChIInChI=1S/C12H26N2O/c1-6-8-9-10-14(11(3)4)12(15)13(5)7-2/h11H,6-10H2,1-5H3
InChIKeyCNUALMVJMAVGCI-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.96
Rot. Bonds6

About 1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea

1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea (PubChem CID 116654960) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea
PubChem CID116654960
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea
SMILESCCCCCN(C(=O)N(C)CC)C(C)C
InChIInChI=1S/C12H26N2O/c1-6-8-9-10-14(11(3)4)12(15)13(5)7-2/h11H,6-10H2,1-5H3
InChIKeyCNUALMVJMAVGCI-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadecyl(propan-2-yl)carbamothioic S-acid
CID 87780649
3-oxo-N-pentyl-N-propan-2-ylbutanamide
CID 60952085
1-(3-amino-3-iminopropyl)-3-ethyl-3-methyl-1-propan-2-ylurea
CID 79162505
butyl(propan-2-yl)carbamic acid
CID 87287717
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
zinc;N-octadecyl-N-propan-2-ylcarbamothioate;carbamothioate
CID 87780648
3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007333
4-(dipentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497775
N-pentyl-N-propan-2-ylethanimidamide
CID 63173308
N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide
CID 146482077
(2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide
CID 143155247

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea?
The IUPAC name of 1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea (CID 116654960) is 1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea.
What is the SMILES notation for 1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea?
The canonical SMILES for 1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea is CCCCCN(C(=O)N(C)CC)C(C)C.
What is the InChIKey of 1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea?
The InChIKey is CNUALMVJMAVGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-8-9-10-14(11(3)4)12(15)13(5)7-2/h11H,6-10H2,1-5H3.
What are the key properties of 1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea?
1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea has a molecular weight of 214.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea is sourced from PubChem (CID 116654960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).