N,N-dibutylbutan-1-amine;methyl hydrogen carbonate

C14H31NO3 — CID 175024513

IUPACN,N-dibutylbutan-1-amine;methyl hydrogen carbonate
SMILESCCCCN(CCCC)CCCC.COC(=O)O
InChIInChI=1S/C12H27N.C2H4O3/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-5-2(3)4/h4-12H2,1-3H3;1H3,(H,3,4)
InChIKeyCONJPTNMJVWCEA-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.00
Rot. Bonds9

About N,N-dibutylbutan-1-amine;methyl hydrogen carbonate

N,N-dibutylbutan-1-amine;methyl hydrogen carbonate (PubChem CID 175024513) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N,N-dibutylbutan-1-amine;methyl hydrogen carbonate.

Molecular Properties

Compound NameN,N-dibutylbutan-1-amine;methyl hydrogen carbonate
PubChem CID175024513
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC NameN,N-dibutylbutan-1-amine;methyl hydrogen carbonate
SMILESCCCCN(CCCC)CCCC.COC(=O)O
InChIInChI=1S/C12H27N.C2H4O3/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-5-2(3)4/h4-12H2,1-3H3;1H3,(H,3,4)
InChIKeyCONJPTNMJVWCEA-UHFFFAOYSA-N
XLogP4.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dibutylbutan-1-amine;methyl hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dibutylbutan-1-amine;propanoic acid
CID 173098736
carbonic acid;N,N-dipentylpentan-1-amine
CID 157318586
(Z)-but-2-enedioic acid;bis(N,N-dibutylbutan-1-amine)
CID 173189126
bis(N,N-dibutylbutan-1-amine);pentanedioic acid
CID 173189158
4-(dibutylamino)butanamide
CID 57071614
methyl 2-amino-4-(dibutylamino)butanoate
CID 63028607
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
3-(dioctadecylamino)propanoic acid
CID 101313756
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
methyl 3-(dihexylamino)propanoate
CID 11032971

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutan-1-amine;methyl hydrogen carbonate?
The IUPAC name of N,N-dibutylbutan-1-amine;methyl hydrogen carbonate (CID 175024513) is N,N-dibutylbutan-1-amine;methyl hydrogen carbonate.
What is the SMILES notation for N,N-dibutylbutan-1-amine;methyl hydrogen carbonate?
The canonical SMILES for N,N-dibutylbutan-1-amine;methyl hydrogen carbonate is CCCCN(CCCC)CCCC.COC(=O)O.
What is the InChIKey of N,N-dibutylbutan-1-amine;methyl hydrogen carbonate?
The InChIKey is CONJPTNMJVWCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C2H4O3/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-5-2(3)4/h4-12H2,1-3H3;1H3,(H,3,4).
What are the key properties of N,N-dibutylbutan-1-amine;methyl hydrogen carbonate?
N,N-dibutylbutan-1-amine;methyl hydrogen carbonate has a molecular weight of 261.41 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbutan-1-amine;methyl hydrogen carbonate is sourced from PubChem (CID 175024513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).