N-[(2R,3R)-3-methylheptan-2-yl]aniline

C14H23N — CID 10646032

IUPACN-[(2R,3R)-3-methylheptan-2-yl]aniline
SMILESCCCC[C@@H](C)[C@@H](C)Nc1ccccc1
InChIInChI=1S/C14H23N/c1-4-5-9-12(2)13(3)15-14-10-7-6-8-11-14/h6-8,10-13,15H,4-5,9H2,1-3H3/t12-,13-/m1/s1
InChIKeyHJTIGXNWXWRYNY-CHWSQXEVSA-N
MW205.35 g/mol
LogP4.31
Rot. Bonds6

About N-[(2R,3R)-3-methylheptan-2-yl]aniline

N-[(2R,3R)-3-methylheptan-2-yl]aniline (PubChem CID 10646032) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is N-[(2R,3R)-3-methylheptan-2-yl]aniline.

Molecular Properties

Compound NameN-[(2R,3R)-3-methylheptan-2-yl]aniline
PubChem CID10646032
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC NameN-[(2R,3R)-3-methylheptan-2-yl]aniline
SMILESCCCC[C@@H](C)[C@@H](C)Nc1ccccc1
InChIInChI=1S/C14H23N/c1-4-5-9-12(2)13(3)15-14-10-7-6-8-11-14/h6-8,10-13,15H,4-5,9H2,1-3H3/t12-,13-/m1/s1
InChIKeyHJTIGXNWXWRYNY-CHWSQXEVSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-3-methylheptan-2-yl]aniline?
The IUPAC name of N-[(2R,3R)-3-methylheptan-2-yl]aniline (CID 10646032) is N-[(2R,3R)-3-methylheptan-2-yl]aniline.
What is the SMILES notation for N-[(2R,3R)-3-methylheptan-2-yl]aniline?
The canonical SMILES for N-[(2R,3R)-3-methylheptan-2-yl]aniline is CCCC[C@@H](C)[C@@H](C)Nc1ccccc1.
What is the InChIKey of N-[(2R,3R)-3-methylheptan-2-yl]aniline?
The InChIKey is HJTIGXNWXWRYNY-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H23N/c1-4-5-9-12(2)13(3)15-14-10-7-6-8-11-14/h6-8,10-13,15H,4-5,9H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of N-[(2R,3R)-3-methylheptan-2-yl]aniline?
N-[(2R,3R)-3-methylheptan-2-yl]aniline has a molecular weight of 205.35 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-3-methylheptan-2-yl]aniline is sourced from PubChem (CID 10646032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).