N,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane

C19H33N — CID 157123555

IUPACN,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane
SMILESC.C.C.CCCc1ccc(CN(C)C)c2ccccc12
InChIInChI=1S/C16H21N.3CH4/c1-4-7-13-10-11-14(12-17(2)3)16-9-6-5-8-15(13)16;;;/h5-6,8-11H,4,7,12H2,1-3H3;3*1H4
InChIKeyAIGHANLSLCNXAX-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.76
Rot. Bonds4

About N,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane

N,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane (PubChem CID 157123555) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane
PubChem CID157123555
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane
SMILESC.C.C.CCCc1ccc(CN(C)C)c2ccccc12
InChIInChI=1S/C16H21N.3CH4/c1-4-7-13-10-11-14(12-17(2)3)16-9-6-5-8-15(13)16;;;/h5-6,8-11H,4,7,12H2,1-3H3;3*1H4
InChIKeyAIGHANLSLCNXAX-UHFFFAOYSA-N
XLogP5.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
4-[(dimethylamino)methyl]naphthalen-1-ol
CID 131860165
1-hexyl-4-propylnaphthalene
CID 173269452
1-cyclopentyl-4-propylnaphthalene
CID 173269016
2-(4-propylnaphthalen-1-yl)-1,3-dioxolane
CID 59092303
1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine
CID 166798173
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
methanamine;1-propylnaphthalene
CID 174438724
2-propyl-1-(2-propylnaphthalen-1-yl)naphthalene
CID 59336410
N,N-dimethyl-1-(2-octadecylphenyl)methanamine
CID 19374198
1-methoxy-2-propylnaphthalene
CID 19091368
sodium 4-propylnaphthalene-1-sulfonate
CID 23722881

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane?
The IUPAC name of N,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane (CID 157123555) is N,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane.
What is the SMILES notation for N,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane?
The canonical SMILES for N,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane is C.C.C.CCCc1ccc(CN(C)C)c2ccccc12.
What is the InChIKey of N,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane?
The InChIKey is AIGHANLSLCNXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N.3CH4/c1-4-7-13-10-11-14(12-17(2)3)16-9-6-5-8-15(13)16;;;/h5-6,8-11H,4,7,12H2,1-3H3;3*1H4.
What are the key properties of N,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane?
N,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane has a molecular weight of 275.48 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane is sourced from PubChem (CID 157123555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).