N,N'-dimethylheptane-1,7-diimine

C9H18N2 — CID 159923520

IUPACN,N'-dimethylheptane-1,7-diimine
SMILESC/N=C/CCCCC/C=N/C
InChIInChI=1S/C9H18N2/c1-10-8-6-4-3-5-7-9-11-2/h8-9H,3-7H2,1-2H3/b10-8+,11-9+
InChIKeyNYSJKIYATASHSK-GFULKKFKSA-N
MW154.26 g/mol
LogP2.34
Rot. Bonds6

About N,N'-dimethylheptane-1,7-diimine

N,N'-dimethylheptane-1,7-diimine (PubChem CID 159923520) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,N'-dimethylheptane-1,7-diimine.

Molecular Properties

Compound NameN,N'-dimethylheptane-1,7-diimine
PubChem CID159923520
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,N'-dimethylheptane-1,7-diimine
SMILESC/N=C/CCCCC/C=N/C
InChIInChI=1S/C9H18N2/c1-10-8-6-4-3-5-7-9-11-2/h8-9H,3-7H2,1-2H3/b10-8+,11-9+
InChIKeyNYSJKIYATASHSK-GFULKKFKSA-N
XLogP2.34
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyloctadecan-1-imine
CID 54409483
N'-cyclobutyl-N-methylheptane-1,7-diimine
CID 155283432
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
N-(5-(113C)methyliminopentyl)acetamide
CID 135251333
N-(5-(113C)methyliminopentyl)acetamide
CID 135251398
5-methyliminopentanoyl chloride
CID 123728078
N-tetradecyltridecan-1-imine
CID 175147598
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N,N'-ditert-butyloctane-1,8-diimine
CID 101240395
N-(12-hydroxyiminododecylidene)hydroxylamine
CID 131876535

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylheptane-1,7-diimine?
The IUPAC name of N,N'-dimethylheptane-1,7-diimine (CID 159923520) is N,N'-dimethylheptane-1,7-diimine.
What is the SMILES notation for N,N'-dimethylheptane-1,7-diimine?
The canonical SMILES for N,N'-dimethylheptane-1,7-diimine is C/N=C/CCCCC/C=N/C.
What is the InChIKey of N,N'-dimethylheptane-1,7-diimine?
The InChIKey is NYSJKIYATASHSK-GFULKKFKSA-N. The full InChI is InChI=1S/C9H18N2/c1-10-8-6-4-3-5-7-9-11-2/h8-9H,3-7H2,1-2H3/b10-8+,11-9+.
What are the key properties of N,N'-dimethylheptane-1,7-diimine?
N,N'-dimethylheptane-1,7-diimine has a molecular weight of 154.26 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylheptane-1,7-diimine is sourced from PubChem (CID 159923520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).