4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine

C17H23N — CID 116642933

IUPAC4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC#CCCNC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C17H23N/c1-4-5-8-13-18-16-11-12-17(2,3)15-10-7-6-9-14(15)16/h6-7,9-10,16,18H,8,11-13H2,1-3H3
InChIKeyVIICKTWNXJTCJZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.80
Rot. Bonds3

About 4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine

4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 116642933) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID116642933
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC#CCCNC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C17H23N/c1-4-5-8-13-18-16-11-12-17(2,3)15-10-7-6-9-14(15)16/h6-7,9-10,16,18H,8,11-13H2,1-3H3
InChIKeyVIICKTWNXJTCJZ-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43147385
N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 113303571
N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147302
N-cyclopropyl-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]propanamide
CID 79377266
4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine
CID 102672100
4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 43147420
1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol
CID 63294204
N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 102695797
N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147440
3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione
CID 124726189
N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 115615295
4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63378715

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine (CID 116642933) is 4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine is CC#CCCNC1CCC(C)(C)c2ccccc21.
What is the InChIKey of 4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is VIICKTWNXJTCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-4-5-8-13-18-16-11-12-17(2,3)15-10-7-6-9-14(15)16/h6-7,9-10,16,18H,8,11-13H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine?
4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 116642933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).