3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine

C11H23N3 — CID 174829721

IUPAC3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN=C=NCC(C)(C)C
InChIInChI=1S/C11H23N3/c1-11(2,3)9-13-10-12-7-6-8-14(4)5/h6-9H2,1-5H3
InChIKeyOYRQQUDDDVVJHQ-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.16
Rot. Bonds5

About 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine

3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine (PubChem CID 174829721) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine
PubChem CID174829721
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN=C=NCC(C)(C)C
InChIInChI=1S/C11H23N3/c1-11(2,3)9-13-10-12-7-6-8-14(4)5/h6-9H2,1-5H3
InChIKeyOYRQQUDDDVVJHQ-UHFFFAOYSA-N
XLogP2.16
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 146446789
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
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427
N,N-dimethyl-3-(2-methylpropyliminomethylideneamino)propan-1-amine;hydrochloride
CID 162304570
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;propan-2-one
CID 158337348
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane
CID 87433592
2-(butyliminomethylideneamino)-N,N-dimethylethanamine
CID 134871643
butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 170171084
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine
CID 86755171

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine (CID 174829721) is 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine is CN(C)CCCN=C=NCC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
The InChIKey is OYRQQUDDDVVJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-11(2,3)9-13-10-12-7-6-8-14(4)5/h6-9H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine?
3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine has a molecular weight of 197.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyliminomethylideneamino)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 174829721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).