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

C6H13N3 — CID 19063555

IUPAC3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN=C=N
InChIInChI=1S/C6H13N3/c1-9(2)5-3-4-8-6-7/h7H,3-5H2,1-2H3
InChIKeyISCMYZGMRHODRP-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.69
Rot. Bonds4

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

3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine (PubChem CID 19063555) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine
PubChem CID19063555
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN=C=N
InChIInChI=1S/C6H13N3/c1-9(2)5-3-4-8-6-7/h7H,3-5H2,1-2H3
InChIKeyISCMYZGMRHODRP-UHFFFAOYSA-N
XLogP0.69
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine (CID 19063555) is 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine is CN(C)CCCN=C=N.
What is the InChIKey of 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine?
The InChIKey is ISCMYZGMRHODRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-9(2)5-3-4-8-6-7/h7H,3-5H2,1-2H3.
What are the key properties of 3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine?
3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine has a molecular weight of 127.19 g/mol, XLogP of 0.69, 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 is sourced from PubChem (CID 19063555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).