N-(3-methylheptyl)-N-propylaniline

C17H29N — CID 67790396

IUPACN-(3-methylheptyl)-N-propylaniline
SMILESCCCCC(C)CCN(CCC)c1ccccc1
InChIInChI=1S/C17H29N/c1-4-6-10-16(3)13-15-18(14-5-2)17-11-8-7-9-12-17/h7-9,11-12,16H,4-6,10,13-15H2,1-3H3
InChIKeyDAIBHIJXYKISTI-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.12
Rot. Bonds9

About N-(3-methylheptyl)-N-propylaniline

N-(3-methylheptyl)-N-propylaniline (PubChem CID 67790396) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-(3-methylheptyl)-N-propylaniline.

Molecular Properties

Compound NameN-(3-methylheptyl)-N-propylaniline
PubChem CID67790396
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-(3-methylheptyl)-N-propylaniline
SMILESCCCCC(C)CCN(CCC)c1ccccc1
InChIInChI=1S/C17H29N/c1-4-6-10-16(3)13-15-18(14-5-2)17-11-8-7-9-12-17/h7-9,11-12,16H,4-6,10,13-15H2,1-3H3
InChIKeyDAIBHIJXYKISTI-UHFFFAOYSA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylheptyl)-N-propylaniline?
The IUPAC name of N-(3-methylheptyl)-N-propylaniline (CID 67790396) is N-(3-methylheptyl)-N-propylaniline.
What is the SMILES notation for N-(3-methylheptyl)-N-propylaniline?
The canonical SMILES for N-(3-methylheptyl)-N-propylaniline is CCCCC(C)CCN(CCC)c1ccccc1.
What is the InChIKey of N-(3-methylheptyl)-N-propylaniline?
The InChIKey is DAIBHIJXYKISTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-6-10-16(3)13-15-18(14-5-2)17-11-8-7-9-12-17/h7-9,11-12,16H,4-6,10,13-15H2,1-3H3.
What are the key properties of N-(3-methylheptyl)-N-propylaniline?
N-(3-methylheptyl)-N-propylaniline has a molecular weight of 247.43 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylheptyl)-N-propylaniline is sourced from PubChem (CID 67790396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).