N,N-dibutylbutan-1-amine;phenylmethanol

C19H35NO — CID 70600701

IUPACN,N-dibutylbutan-1-amine;phenylmethanol
SMILESCCCCN(CCCC)CCCC.OCc1ccccc1
InChIInChI=1S/C12H27N.C7H8O/c1-4-7-10-13(11-8-5-2)12-9-6-3;8-6-7-4-2-1-3-5-7/h4-12H2,1-3H3;1-5,8H,6H2
InChIKeyMOKRMVUWMLPGEC-UHFFFAOYSA-N
MW293.49 g/mol
LogP4.87
Rot. Bonds10

About N,N-dibutylbutan-1-amine;phenylmethanol

N,N-dibutylbutan-1-amine;phenylmethanol (PubChem CID 70600701) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is N,N-dibutylbutan-1-amine;phenylmethanol.

Molecular Properties

Compound NameN,N-dibutylbutan-1-amine;phenylmethanol
PubChem CID70600701
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC NameN,N-dibutylbutan-1-amine;phenylmethanol
SMILESCCCCN(CCCC)CCCC.OCc1ccccc1
InChIInChI=1S/C12H27N.C7H8O/c1-4-7-10-13(11-8-5-2)12-9-6-3;8-6-7-4-2-1-3-5-7/h4-12H2,1-3H3;1-5,8H,6H2
InChIKeyMOKRMVUWMLPGEC-UHFFFAOYSA-N
XLogP4.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutan-1-amine;phenylmethanol?
The IUPAC name of N,N-dibutylbutan-1-amine;phenylmethanol (CID 70600701) is N,N-dibutylbutan-1-amine;phenylmethanol.
What is the SMILES notation for N,N-dibutylbutan-1-amine;phenylmethanol?
The canonical SMILES for N,N-dibutylbutan-1-amine;phenylmethanol is CCCCN(CCCC)CCCC.OCc1ccccc1.
What is the InChIKey of N,N-dibutylbutan-1-amine;phenylmethanol?
The InChIKey is MOKRMVUWMLPGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C7H8O/c1-4-7-10-13(11-8-5-2)12-9-6-3;8-6-7-4-2-1-3-5-7/h4-12H2,1-3H3;1-5,8H,6H2.
What are the key properties of N,N-dibutylbutan-1-amine;phenylmethanol?
N,N-dibutylbutan-1-amine;phenylmethanol has a molecular weight of 293.49 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbutan-1-amine;phenylmethanol is sourced from PubChem (CID 70600701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).