4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile

C29H45N3 — CID 23347233

IUPAC4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile
SMILESCC(C)N(CCC(C#N)(CC(C)N(C(C)C)C(C)C)c1cccc2ccccc12)C(C)C
InChIInChI=1S/C29H45N3/c1-21(2)31(22(3)4)18-17-29(20-30,19-25(9)32(23(5)6)24(7)8)28-16-12-14-26-13-10-11-15-27(26)28/h10-16,21-25H,17-19H2,1-9H3
InChIKeySGPAUWPWUGVUEE-UHFFFAOYSA-N
MW435.70 g/mol
LogP7.01
Rot. Bonds11

About 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile

4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile (PubChem CID 23347233) has the molecular formula C29H45N3 and a molecular weight of 435.70 g/mol. Its IUPAC name is 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile.

Molecular Properties

Compound Name4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile
PubChem CID23347233
Molecular FormulaC29H45N3
Molecular Weight435.70 g/mol
Exact Mass435.36
IUPAC Name4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile
SMILESCC(C)N(CCC(C#N)(CC(C)N(C(C)C)C(C)C)c1cccc2ccccc12)C(C)C
InChIInChI=1S/C29H45N3/c1-21(2)31(22(3)4)18-17-29(20-30,19-25(9)32(23(5)6)24(7)8)28-16-12-14-26-13-10-11-15-27(26)28/h10-16,21-25H,17-19H2,1-9H3
InChIKeySGPAUWPWUGVUEE-UHFFFAOYSA-N
XLogP7.01
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.70
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile
CID 125482749
2-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 102137680
2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]-2-(4-fluorophenyl)butanenitrile
CID 12612268
2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile
CID 54286615
N-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 161498430
1-(4-naphthalen-1-yloctan-4-yl)naphthalene
CID 174772788
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
(2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125480001
(2R)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125480002
(2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine
CID 125480014
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059

Frequently Asked Questions

What is the IUPAC name of 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile?
The IUPAC name of 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile (CID 23347233) is 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile.
What is the SMILES notation for 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile?
The canonical SMILES for 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile is CC(C)N(CCC(C#N)(CC(C)N(C(C)C)C(C)C)c1cccc2ccccc12)C(C)C.
What is the InChIKey of 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile?
The InChIKey is SGPAUWPWUGVUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45N3/c1-21(2)31(22(3)4)18-17-29(20-30,19-25(9)32(23(5)6)24(7)8)28-16-12-14-26-13-10-11-15-27(26)28/h10-16,21-25H,17-19H2,1-9H3.
What are the key properties of 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile?
4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile has a molecular weight of 435.70 g/mol, XLogP of 7.01, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile is sourced from PubChem (CID 23347233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).