butyl(propan-2-yl)carbamic acid

C8H17NO2 — CID 87287717

IUPACbutyl(propan-2-yl)carbamic acid
SMILESCCCCN(C(=O)O)C(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-6-9(7(2)3)8(10)11/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyZDRXIWDOMPSASG-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.17
Rot. Bonds4

About butyl(propan-2-yl)carbamic acid

butyl(propan-2-yl)carbamic acid (PubChem CID 87287717) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is butyl(propan-2-yl)carbamic acid.

Molecular Properties

Compound Namebutyl(propan-2-yl)carbamic acid
PubChem CID87287717
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namebutyl(propan-2-yl)carbamic acid
SMILESCCCCN(C(=O)O)C(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-6-9(7(2)3)8(10)11/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyZDRXIWDOMPSASG-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

butyl-[5-(diethylamino)pentan-2-yl]carbamic acid
CID 57352771
2-aminoethyl(propan-2-yl)carbamic acid
CID 88850565
1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid
CID 174982637
octadecyl(propan-2-yl)carbamothioic S-acid
CID 87780649
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
3-oxo-N-pentyl-N-propan-2-ylbutanamide
CID 60952085
1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea
CID 116654960
propan-2-yl-[2-(propan-2-ylamino)ethyl]carbamic acid
CID 87488169
4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61447544
5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid
CID 60662142
butyl(pentan-2-yl)carbamothioic S-acid
CID 23617378

Frequently Asked Questions

What is the IUPAC name of butyl(propan-2-yl)carbamic acid?
The IUPAC name of butyl(propan-2-yl)carbamic acid (CID 87287717) is butyl(propan-2-yl)carbamic acid.
What is the SMILES notation for butyl(propan-2-yl)carbamic acid?
The canonical SMILES for butyl(propan-2-yl)carbamic acid is CCCCN(C(=O)O)C(C)C.
What is the InChIKey of butyl(propan-2-yl)carbamic acid?
The InChIKey is ZDRXIWDOMPSASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-5-6-9(7(2)3)8(10)11/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of butyl(propan-2-yl)carbamic acid?
butyl(propan-2-yl)carbamic acid has a molecular weight of 159.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(propan-2-yl)carbamic acid is sourced from PubChem (CID 87287717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).