N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline

C32H38N2 — CID 20637516

IUPACN-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline
SMILESCCCCC(Nc1c(C(C)C)cccc1C(C)C)c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C32H38N2/c1-6-7-19-31(34-32-25(22(2)3)16-11-17-26(32)23(4)5)30-21-12-20-29(33-30)28-18-10-14-24-13-8-9-15-27(24)28/h8-18,20-23,31,34H,6-7,19H2,1-5H3
InChIKeyMSMKBECCKZLHJG-UHFFFAOYSA-N
MW450.67 g/mol
LogP9.49
Rot. Bonds9

About N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline

N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline (PubChem CID 20637516) has the molecular formula C32H38N2 and a molecular weight of 450.67 g/mol. Its IUPAC name is N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline
PubChem CID20637516
Molecular FormulaC32H38N2
Molecular Weight450.67 g/mol
Exact Mass450.30
IUPAC NameN-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline
SMILESCCCCC(Nc1c(C(C)C)cccc1C(C)C)c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C32H38N2/c1-6-7-19-31(34-32-25(22(2)3)16-11-17-26(32)23(4)5)30-21-12-20-29(33-30)28-18-10-14-24-13-8-9-15-27(24)28/h8-18,20-23,31,34H,6-7,19H2,1-5H3
InChIKeyMSMKBECCKZLHJG-UHFFFAOYSA-N
XLogP9.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.67
LogP ≤ 59.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine
CID 22292706
4-[[3-[[2,6-di(propan-2-yl)anilino]-(6-naphthalen-1-yl-2-pyridinyl)methyl]-5-methylphenyl]methyl]-N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline
CID 142140323
N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline
CID 153345248
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 20637527
N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 59760636
butane;1-propan-2-ylnaphthalene
CID 157253186
N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
CID 12070562
N-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine
CID 70948630
N-[anthracen-9-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-diethylaniline;2,6-diethyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline;2,6-diethyl-N-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]aniline;N-[[6-(4-methoxyphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 159661438
3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine
CID 130392686
N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 102236465

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline (CID 20637516) is N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline is CCCCC(Nc1c(C(C)C)cccc1C(C)C)c1cccc(-c2cccc3ccccc23)n1.
What is the InChIKey of N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is MSMKBECCKZLHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2/c1-6-7-19-31(34-32-25(22(2)3)16-11-17-26(32)23(4)5)30-21-12-20-29(33-30)28-18-10-14-24-13-8-9-15-27(24)28/h8-18,20-23,31,34H,6-7,19H2,1-5H3.
What are the key properties of N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline?
N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 450.67 g/mol, XLogP of 9.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 20637516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).