1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine

C13H20NO- — CID 59280482

IUPAC1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine
SMILES[CH2-]N(C)Cc1ccc(OCCCC)cc1
InChIInChI=1S/C13H20NO/c1-4-5-10-15-13-8-6-12(7-9-13)11-14(2)3/h6-9H,2,4-5,10-11H2,1,3H3/q-1
InChIKeyHDMSHNRGUJDYFF-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.09
Rot. Bonds6

About 1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine

1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine (PubChem CID 59280482) has the molecular formula C13H20NO- and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine
PubChem CID59280482
Molecular FormulaC13H20NO-
Molecular Weight206.31 g/mol
Exact Mass206.16
IUPAC Name1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine
SMILES[CH2-]N(C)Cc1ccc(OCCCC)cc1
InChIInChI=1S/C13H20NO/c1-4-5-10-15-13-8-6-12(7-9-13)11-14(2)3/h6-9H,2,4-5,10-11H2,1,3H3/q-1
InChIKeyHDMSHNRGUJDYFF-UHFFFAOYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(4-hexoxyphenyl)methyl-methylamino]propan-2-ol
CID 99783620
1,4-dipentoxybenzene
CID 18314717
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
N,N-dibutyl-10-[4-(diethylaminomethyl)phenoxy]decan-1-amine
CID 46890174
N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine
CID 113285685
N,N-dibutyl-6-[4-(diethylaminomethyl)phenoxy]hexan-1-amine
CID 46890024
N-[(4-butoxyphenyl)methyl]-1-tert-butyl-N-methylpiperidin-4-amine
CID 118531507
1-nonoxy-4-propylbenzene
CID 118632119
1-hexoxy-4-pentylbenzene
CID 54277450
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
3-(4-heptoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865649

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine?
The IUPAC name of 1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine (CID 59280482) is 1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine.
What is the SMILES notation for 1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine?
The canonical SMILES for 1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine is [CH2-]N(C)Cc1ccc(OCCCC)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine?
The InChIKey is HDMSHNRGUJDYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20NO/c1-4-5-10-15-13-8-6-12(7-9-13)11-14(2)3/h6-9H,2,4-5,10-11H2,1,3H3/q-1.
What are the key properties of 1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine?
1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine has a molecular weight of 206.31 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine is sourced from PubChem (CID 59280482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).