N,N-dimethylaniline;N,N-dipropylpropan-1-amine

C17H32N2 — CID 67813057

IUPACN,N-dimethylaniline;N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCC.CN(C)c1ccccc1
InChIInChI=1S/C9H21N.C8H11N/c1-4-7-10(8-5-2)9-6-3;1-9(2)8-6-4-3-5-7-8/h4-9H2,1-3H3;3-7H,1-2H3
InChIKeyBXKYJEDOCRLXBH-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.27
Rot. Bonds7

About N,N-dimethylaniline;N,N-dipropylpropan-1-amine

N,N-dimethylaniline;N,N-dipropylpropan-1-amine (PubChem CID 67813057) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N,N-dimethylaniline;N,N-dipropylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethylaniline;N,N-dipropylpropan-1-amine
PubChem CID67813057
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN,N-dimethylaniline;N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCC.CN(C)c1ccccc1
InChIInChI=1S/C9H21N.C8H11N/c1-4-7-10(8-5-2)9-6-3;1-9(2)8-6-4-3-5-7-8/h4-9H2,1-3H3;3-7H,1-2H3
InChIKeyBXKYJEDOCRLXBH-UHFFFAOYSA-N
XLogP4.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutylbutan-1-amine;N,N-dimethylaniline
CID 19354348
N,N-dimethylaniline
CID 70392672
N,N-dimethylaniline;N,N-diphenylaniline
CID 159990775
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;mercury
CID 158660084
CID 69241188
CID 69241188
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
N,N-dimethylaniline;osmium(4+)
CID 172845967
N,N-dipropylpropan-1-amine;toluene
CID 142167047
N,N-dipropylaniline;ethane
CID 142135231
N,N-dimethylaniline;methanol
CID 143205399

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylaniline;N,N-dipropylpropan-1-amine?
The IUPAC name of N,N-dimethylaniline;N,N-dipropylpropan-1-amine (CID 67813057) is N,N-dimethylaniline;N,N-dipropylpropan-1-amine.
What is the SMILES notation for N,N-dimethylaniline;N,N-dipropylpropan-1-amine?
The canonical SMILES for N,N-dimethylaniline;N,N-dipropylpropan-1-amine is CCCN(CCC)CCC.CN(C)c1ccccc1.
What is the InChIKey of N,N-dimethylaniline;N,N-dipropylpropan-1-amine?
The InChIKey is BXKYJEDOCRLXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C8H11N/c1-4-7-10(8-5-2)9-6-3;1-9(2)8-6-4-3-5-7-8/h4-9H2,1-3H3;3-7H,1-2H3.
What are the key properties of N,N-dimethylaniline;N,N-dipropylpropan-1-amine?
N,N-dimethylaniline;N,N-dipropylpropan-1-amine has a molecular weight of 264.46 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylaniline;N,N-dipropylpropan-1-amine is sourced from PubChem (CID 67813057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).