N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine

C22H37N — CID 176916059

IUPACN,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCCCCCN(CCCCCC)c1cccc2c1CCCC2
InChIInChI=1S/C22H37N/c1-3-5-7-11-18-23(19-12-8-6-4-2)22-17-13-15-20-14-9-10-16-21(20)22/h13,15,17H,3-12,14,16,18-19H2,1-2H3
InChIKeyOFIRWRAHFIMJTQ-UHFFFAOYSA-N
MW315.55 g/mol
LogP6.53
Rot. Bonds11

About N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine

N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 176916059) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID176916059
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC NameN,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCCCCCN(CCCCCC)c1cccc2c1CCCC2
InChIInChI=1S/C22H37N/c1-3-5-7-11-18-23(19-12-8-6-4-2)22-17-13-15-20-14-9-10-16-21(20)22/h13,15,17H,3-12,14,16,18-19H2,1-2H3
InChIKeyOFIRWRAHFIMJTQ-UHFFFAOYSA-N
XLogP6.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 71344847
N,N-didecyl-9H-fluoren-1-amine
CID 151349271
4-N,4-N,5-N,5-N-tetraheptyl-9H-fluorene-4,5-diamine
CID 67058500
N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43129204
N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
2-(dioctadecylamino)phenol
CID 67178725
2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
N,N-dihexyl-2-methoxyaniline
CID 59373144
2-chloro-N,N-dihexylaniline
CID 139723528
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
N-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline
CID 166894542
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
CID 144530231

Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine (CID 176916059) is N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine is CCCCCCN(CCCCCC)c1cccc2c1CCCC2.
What is the InChIKey of N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is OFIRWRAHFIMJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N/c1-3-5-7-11-18-23(19-12-8-6-4-2)22-17-13-15-20-14-9-10-16-21(20)22/h13,15,17H,3-12,14,16,18-19H2,1-2H3.
What are the key properties of N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine?
N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 315.55 g/mol, XLogP of 6.53, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 176916059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).