N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine

C17H28N2 — CID 43147385

IUPACN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C17H28N2/c1-17(2)11-10-16(18-12-7-13-19(3)4)14-8-5-6-9-15(14)17/h5-6,8-9,16,18H,7,10-13H2,1-4H3
InChIKeyZAAGMXJSKJXGFP-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.34
Rot. Bonds5

About N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine

N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 43147385) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID43147385
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C17H28N2/c1-17(2)11-10-16(18-12-7-13-19(3)4)14-8-5-6-9-15(14)17/h5-6,8-9,16,18H,7,10-13H2,1-4H3
InChIKeyZAAGMXJSKJXGFP-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine
CID 116642933
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
3-[2-[[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]ethyl]imidazolidine-2,4-dione
CID 124726189
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
N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 102695797
1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol
CID 63294204
N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147440
4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 43147420
N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 115615295
N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462120

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine (CID 43147385) is N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNC1CCC(C)(C)c2ccccc21.
What is the InChIKey of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is ZAAGMXJSKJXGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2)11-10-16(18-12-7-13-19(3)4)14-8-5-6-9-15(14)17/h5-6,8-9,16,18H,7,10-13H2,1-4H3.
What are the key properties of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 43147385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).