4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine

C17H22N2 — CID 155697932

IUPAC4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine
SMILESC=CC(CC(N)Cc1cccc2ccccc12)NC
InChIInChI=1S/C17H22N2/c1-3-16(19-2)12-15(18)11-14-9-6-8-13-7-4-5-10-17(13)14/h3-10,15-16,19H,1,11-12,18H2,2H3
InChIKeyRLTCAEXWDHKTPR-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.87
Rot. Bonds6

About 4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine

4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine (PubChem CID 155697932) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine
PubChem CID155697932
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine
SMILESC=CC(CC(N)Cc1cccc2ccccc12)NC
InChIInChI=1S/C17H22N2/c1-3-16(19-2)12-15(18)11-14-9-6-8-13-7-4-5-10-17(13)14/h3-10,15-16,19H,1,11-12,18H2,2H3
InChIKeyRLTCAEXWDHKTPR-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
1-naphthalen-1-yl-N-propylbut-3-en-2-amine
CID 105161170
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 62603537
4-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 61079778
N,4-dimethyl-3-(naphthalen-1-ylmethyl)pentan-2-amine
CID 62916002
3-amino-4-naphthalen-1-ylbutanoic acid
CID 53395054
1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine
CID 65128492
N,2-dimethyl-3-naphthalen-1-ylpropan-1-amine
CID 62528877
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine?
The IUPAC name of 4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine (CID 155697932) is 4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine.
What is the SMILES notation for 4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine?
The canonical SMILES for 4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine is C=CC(CC(N)Cc1cccc2ccccc12)NC.
What is the InChIKey of 4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine?
The InChIKey is RLTCAEXWDHKTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-16(19-2)12-15(18)11-14-9-6-8-13-7-4-5-10-17(13)14/h3-10,15-16,19H,1,11-12,18H2,2H3.
What are the key properties of 4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine?
4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine has a molecular weight of 254.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine is sourced from PubChem (CID 155697932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).