N-heptyl-N'-methyl-N'-nonylmethanediamine

C18H40N2 — CID 123624705

IUPACN-heptyl-N'-methyl-N'-nonylmethanediamine
SMILESCCCCCCCCCN(C)CNCCCCCCC
InChIInChI=1S/C18H40N2/c1-4-6-8-10-11-13-15-17-20(3)18-19-16-14-12-9-7-5-2/h19H,4-18H2,1-3H3
InChIKeyJHBYYKUYAWUWHY-UHFFFAOYSA-N
MW284.53 g/mol
LogP5.19
Rot. Bonds16

About N-heptyl-N'-methyl-N'-nonylmethanediamine

N-heptyl-N'-methyl-N'-nonylmethanediamine (PubChem CID 123624705) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is N-heptyl-N'-methyl-N'-nonylmethanediamine.

Molecular Properties

Compound NameN-heptyl-N'-methyl-N'-nonylmethanediamine
PubChem CID123624705
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC NameN-heptyl-N'-methyl-N'-nonylmethanediamine
SMILESCCCCCCCCCN(C)CNCCCCCCC
InChIInChI=1S/C18H40N2/c1-4-6-8-10-11-13-15-17-20(3)18-19-16-14-12-9-7-5-2/h19H,4-18H2,1-3H3
InChIKeyJHBYYKUYAWUWHY-UHFFFAOYSA-N
XLogP5.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N'-dibutyl-N'-methylmethanediamine
CID 166686038
N'-ethyl-N'-methyl-N-pentylmethanediamine;icosane
CID 174394236
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 61386626
N'-heptyl-N,N'-dimethylethane-1,2-diamine
CID 43374401
N'-heptadecyl-N,N'-dimethylethane-1,2-diamine
CID 23574295
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-nonylundecan-1-amine
CID 603442

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N'-methyl-N'-nonylmethanediamine?
The IUPAC name of N-heptyl-N'-methyl-N'-nonylmethanediamine (CID 123624705) is N-heptyl-N'-methyl-N'-nonylmethanediamine.
What is the SMILES notation for N-heptyl-N'-methyl-N'-nonylmethanediamine?
The canonical SMILES for N-heptyl-N'-methyl-N'-nonylmethanediamine is CCCCCCCCCN(C)CNCCCCCCC.
What is the InChIKey of N-heptyl-N'-methyl-N'-nonylmethanediamine?
The InChIKey is JHBYYKUYAWUWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-4-6-8-10-11-13-15-17-20(3)18-19-16-14-12-9-7-5-2/h19H,4-18H2,1-3H3.
What are the key properties of N-heptyl-N'-methyl-N'-nonylmethanediamine?
N-heptyl-N'-methyl-N'-nonylmethanediamine has a molecular weight of 284.53 g/mol, XLogP of 5.19, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N'-methyl-N'-nonylmethanediamine is sourced from PubChem (CID 123624705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).