3-naphthalen-1-ylheptan-1-amine

C17H23N — CID 142028314

IUPAC3-naphthalen-1-ylheptan-1-amine
SMILESCCCCC(CCN)c1cccc2ccccc12
InChIInChI=1S/C17H23N/c1-2-3-7-15(12-13-18)17-11-6-9-14-8-4-5-10-16(14)17/h4-6,8-11,15H,2-3,7,12-13,18H2,1H3
InChIKeyOKKMXPMYEZLLPY-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.46
Rot. Bonds6

About 3-naphthalen-1-ylheptan-1-amine

3-naphthalen-1-ylheptan-1-amine (PubChem CID 142028314) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-naphthalen-1-ylheptan-1-amine.

Molecular Properties

Compound Name3-naphthalen-1-ylheptan-1-amine
PubChem CID142028314
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name3-naphthalen-1-ylheptan-1-amine
SMILESCCCCC(CCN)c1cccc2ccccc12
InChIInChI=1S/C17H23N/c1-2-3-7-15(12-13-18)17-11-6-9-14-8-4-5-10-16(14)17/h4-6,8-11,15H,2-3,7,12-13,18H2,1H3
InChIKeyOKKMXPMYEZLLPY-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-decan-5-ylnaphthalene
CID 14029915
1-tetracosan-9-ylnaphthalene
CID 175897855
1-hexadecan-6-ylnaphthalene
CID 14029925
1-octacosan-4-ylnaphthalene
CID 54149804
2-naphthalen-1-ylhexan-1-ol
CID 57029231
1-dodec-9-en-5-ylnaphthalene
CID 173291784
5-naphthalen-1-ylheptadecan-2-one
CID 142778100
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-tridecan-7-ylanthracene
CID 150514951
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
2,6-di(heptan-4-yl)aniline;2,6-di(nonan-5-yl)aniline
CID 161487195
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylheptan-1-amine?
The IUPAC name of 3-naphthalen-1-ylheptan-1-amine (CID 142028314) is 3-naphthalen-1-ylheptan-1-amine.
What is the SMILES notation for 3-naphthalen-1-ylheptan-1-amine?
The canonical SMILES for 3-naphthalen-1-ylheptan-1-amine is CCCCC(CCN)c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-ylheptan-1-amine?
The InChIKey is OKKMXPMYEZLLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-2-3-7-15(12-13-18)17-11-6-9-14-8-4-5-10-16(14)17/h4-6,8-11,15H,2-3,7,12-13,18H2,1H3.
What are the key properties of 3-naphthalen-1-ylheptan-1-amine?
3-naphthalen-1-ylheptan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylheptan-1-amine is sourced from PubChem (CID 142028314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).