N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine

C17H23N — CID 82262424

IUPACN-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine
SMILESCCCCNC(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H23N/c1-3-4-11-18-14(2)12-15-9-10-16-7-5-6-8-17(16)13-15/h5-10,13-14,18H,3-4,11-12H2,1-2H3
InChIKeyCXLLAJMAIVSNFU-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.16
Rot. Bonds6

About N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine

N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine (PubChem CID 82262424) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine
PubChem CID82262424
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine
SMILESCCCCNC(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H23N/c1-3-4-11-18-14(2)12-15-9-10-16-7-5-6-8-17(16)13-15/h5-10,13-14,18H,3-4,11-12H2,1-2H3
InChIKeyCXLLAJMAIVSNFU-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylpropan-2-yl)hexan-1-amine
CID 10998534
N-ethyl-1-naphthalen-2-ylheptan-2-amine
CID 63527367
2-methyl-3-naphthalen-2-yl-N-propylpropan-1-amine
CID 64663925
2-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 113407203
2-(2-propan-2-ylpentyl)naphthalene
CID 173217624
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 82313385
4-[2-(decylamino)propyl]phenol
CID 115494442
butyl 2-methyl-3-naphthalen-2-ylpropanoate
CID 102047735
N-(naphthalen-2-ylmethyl)octan-4-amine
CID 106023636
2-(2-phenylheptyl)naphthalene
CID 174423017

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine?
The IUPAC name of N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine (CID 82262424) is N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine.
What is the SMILES notation for N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine?
The canonical SMILES for N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine is CCCCNC(C)Cc1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine?
The InChIKey is CXLLAJMAIVSNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-3-4-11-18-14(2)12-15-9-10-16-7-5-6-8-17(16)13-15/h5-10,13-14,18H,3-4,11-12H2,1-2H3.
What are the key properties of N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine?
N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine is sourced from PubChem (CID 82262424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).