N'-heptyl-N'-methylmethanediamine

C9H22N2 — CID 89177315

IUPACN'-heptyl-N'-methylmethanediamine
SMILESCCCCCCCN(C)CN
InChIInChI=1S/C9H22N2/c1-3-4-5-6-7-8-11(2)9-10/h3-10H2,1-2H3
InChIKeyFSBXOZDGBLAYNC-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.80
Rot. Bonds7

About N'-heptyl-N'-methylmethanediamine

N'-heptyl-N'-methylmethanediamine (PubChem CID 89177315) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N'-heptyl-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-heptyl-N'-methylmethanediamine
PubChem CID89177315
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN'-heptyl-N'-methylmethanediamine
SMILESCCCCCCCN(C)CN
InChIInChI=1S/C9H22N2/c1-3-4-5-6-7-8-11(2)9-10/h3-10H2,1-2H3
InChIKeyFSBXOZDGBLAYNC-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.80
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-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
N-methyl-N-propyldecan-1-amine
CID 13122225

Frequently Asked Questions

What is the IUPAC name of N'-heptyl-N'-methylmethanediamine?
The IUPAC name of N'-heptyl-N'-methylmethanediamine (CID 89177315) is N'-heptyl-N'-methylmethanediamine.
What is the SMILES notation for N'-heptyl-N'-methylmethanediamine?
The canonical SMILES for N'-heptyl-N'-methylmethanediamine is CCCCCCCN(C)CN.
What is the InChIKey of N'-heptyl-N'-methylmethanediamine?
The InChIKey is FSBXOZDGBLAYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-3-4-5-6-7-8-11(2)9-10/h3-10H2,1-2H3.
What are the key properties of N'-heptyl-N'-methylmethanediamine?
N'-heptyl-N'-methylmethanediamine has a molecular weight of 158.29 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptyl-N'-methylmethanediamine is sourced from PubChem (CID 89177315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).