3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane

C7H16IN3 — CID 19063554

IUPAC3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane
SMILESCI.CN(C)CCCN=C=N
InChIInChI=1S/C6H13N3.CH3I/c1-9(2)5-3-4-8-6-7;1-2/h7H,3-5H2,1-2H3;1H3
InChIKeySKZWNLOXXNPWNM-UHFFFAOYSA-N
MW269.13 g/mol
LogP1.74
Rot. Bonds4

About 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane

3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane (PubChem CID 19063554) has the molecular formula C7H16IN3 and a molecular weight of 269.13 g/mol. Its IUPAC name is 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane.

Molecular Properties

Compound Name3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane
PubChem CID19063554
Molecular FormulaC7H16IN3
Molecular Weight269.13 g/mol
Exact Mass269.04
IUPAC Name3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane
SMILESCI.CN(C)CCCN=C=N
InChIInChI=1S/C6H13N3.CH3I/c1-9(2)5-3-4-8-6-7;1-2/h7H,3-5H2,1-2H3;1H3
InChIKeySKZWNLOXXNPWNM-UHFFFAOYSA-N
XLogP1.74
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-isothiocyanato-N,N-dimethylpropan-1-amine;hydrochloride
CID 17365655
3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine
CID 159163841
N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 146446789
1-[3-(dimethylamino)propylimino]prop-1-en-2-amine
CID 176541610
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174499626
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;silver;hydrochloride
CID 174929426
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 135981086
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine
CID 158191301
3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 174829721
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427
N,N-dimethyl-3-(2-methylpropyliminomethylideneamino)propan-1-amine;hydrochloride
CID 162304570

Frequently Asked Questions

What is the IUPAC name of 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane?
The IUPAC name of 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane (CID 19063554) is 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane.
What is the SMILES notation for 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane?
The canonical SMILES for 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane is CI.CN(C)CCCN=C=N.
What is the InChIKey of 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane?
The InChIKey is SKZWNLOXXNPWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3.CH3I/c1-9(2)5-3-4-8-6-7;1-2/h7H,3-5H2,1-2H3;1H3.
What are the key properties of 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane?
3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane has a molecular weight of 269.13 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane is sourced from PubChem (CID 19063554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).