N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine

C18H25N — CID 171628469

IUPACN-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine
SMILESCCCCCc1cc(C(C)NC)c2ccccc2c1
InChIInChI=1S/C18H25N/c1-4-5-6-9-15-12-16-10-7-8-11-17(16)18(13-15)14(2)19-3/h7-8,10-14,19H,4-6,9H2,1-3H3
InChIKeyMTTWOYDOZMXKST-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.85
Rot. Bonds6

About N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine

N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine (PubChem CID 171628469) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine
PubChem CID171628469
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC NameN-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine
SMILESCCCCCc1cc(C(C)NC)c2ccccc2c1
InChIInChI=1S/C18H25N/c1-4-5-6-9-15-12-16-10-7-8-11-17(16)18(13-15)14(2)19-3/h7-8,10-14,19H,4-6,9H2,1-3H3
InChIKeyMTTWOYDOZMXKST-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.85
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

3-decyl-N-methylnaphthalen-1-amine
CID 175279970
1-naphthalen-1-yl-3-pentylnaphthalene
CID 23002709
hydrazine;methyl (E)-7-[2-formyl-4-(hydroxyamino)phenyl]-4,5-dioxohept-2-enoate;N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine
CID 171628467
6-pentylnaphthalen-1-ol
CID 69480806
calcium bis(3-decylnaphthalene-1-sulfonate)
CID 101317390
6-hexyl-N-methylnaphthalen-1-amine
CID 174703881
5,11-bis(4-pentylphenyl)tetracene
CID 132571362
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
2,7-dipentylpyrene
CID 174968466
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
1,2-dibutyl-3-propan-2-ylnaphthalene
CID 154241338

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine?
The IUPAC name of N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine (CID 171628469) is N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine?
The canonical SMILES for N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine is CCCCCc1cc(C(C)NC)c2ccccc2c1.
What is the InChIKey of N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine?
The InChIKey is MTTWOYDOZMXKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-4-5-6-9-15-12-16-10-7-8-11-17(16)18(13-15)14(2)19-3/h7-8,10-14,19H,4-6,9H2,1-3H3.
What are the key properties of N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine?
N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine has a molecular weight of 255.40 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine is sourced from PubChem (CID 171628469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).