butyl-[5-(diethylamino)pentan-2-yl]carbamic acid

C14H30N2O2 — CID 57352771

IUPACbutyl-[5-(diethylamino)pentan-2-yl]carbamic acid
SMILESCCCCN(C(=O)O)C(C)CCCN(CC)CC
InChIInChI=1S/C14H30N2O2/c1-5-8-12-16(14(17)18)13(4)10-9-11-15(6-2)7-3/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyJUDPBAORVONJTO-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.28
Rot. Bonds10

About butyl-[5-(diethylamino)pentan-2-yl]carbamic acid

butyl-[5-(diethylamino)pentan-2-yl]carbamic acid (PubChem CID 57352771) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is butyl-[5-(diethylamino)pentan-2-yl]carbamic acid.

Molecular Properties

Compound Namebutyl-[5-(diethylamino)pentan-2-yl]carbamic acid
PubChem CID57352771
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Namebutyl-[5-(diethylamino)pentan-2-yl]carbamic acid
SMILESCCCCN(C(=O)O)C(C)CCCN(CC)CC
InChIInChI=1S/C14H30N2O2/c1-5-8-12-16(14(17)18)13(4)10-9-11-15(6-2)7-3/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyJUDPBAORVONJTO-UHFFFAOYSA-N
XLogP3.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butyl(propan-2-yl)carbamic acid
CID 87287717
N-[5-(diethylamino)pentan-2-yl]-N-[(E)-4-[5-(diethylamino)pentan-2-yl-hexadecanoylamino]but-2-enyl]hexadecanamide
CID 6149819
N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]decanamide
CID 5115616
3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 125462480
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
butyl(pentan-2-yl)carbamothioic S-acid
CID 23617378
1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid
CID 174982637
4-[butyl(ethyl)amino]butanoic acid
CID 20991778
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502

Frequently Asked Questions

What is the IUPAC name of butyl-[5-(diethylamino)pentan-2-yl]carbamic acid?
The IUPAC name of butyl-[5-(diethylamino)pentan-2-yl]carbamic acid (CID 57352771) is butyl-[5-(diethylamino)pentan-2-yl]carbamic acid.
What is the SMILES notation for butyl-[5-(diethylamino)pentan-2-yl]carbamic acid?
The canonical SMILES for butyl-[5-(diethylamino)pentan-2-yl]carbamic acid is CCCCN(C(=O)O)C(C)CCCN(CC)CC.
What is the InChIKey of butyl-[5-(diethylamino)pentan-2-yl]carbamic acid?
The InChIKey is JUDPBAORVONJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-8-12-16(14(17)18)13(4)10-9-11-15(6-2)7-3/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of butyl-[5-(diethylamino)pentan-2-yl]carbamic acid?
butyl-[5-(diethylamino)pentan-2-yl]carbamic acid has a molecular weight of 258.41 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[5-(diethylamino)pentan-2-yl]carbamic acid is sourced from PubChem (CID 57352771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).