3-imino-N-propylpropan-1-amine;iodomethane

C7H17IN2 — CID 161000431

IUPAC3-imino-N-propylpropan-1-amine;iodomethane
SMILESCI.[H]/N=C/CCNCCC
InChIInChI=1S/C6H14N2.CH3I/c1-2-5-8-6-3-4-7;1-2/h4,7-8H,2-3,5-6H2,1H3;1H3/b7-4+;
InChIKeyTVULCAVDHBPJJV-KQGICBIGSA-N
MW256.13 g/mol
LogP2.08
Rot. Bonds5

About 3-imino-N-propylpropan-1-amine;iodomethane

3-imino-N-propylpropan-1-amine;iodomethane (PubChem CID 161000431) has the molecular formula C7H17IN2 and a molecular weight of 256.13 g/mol. Its IUPAC name is 3-imino-N-propylpropan-1-amine;iodomethane.

Molecular Properties

Compound Name3-imino-N-propylpropan-1-amine;iodomethane
PubChem CID161000431
Molecular FormulaC7H17IN2
Molecular Weight256.13 g/mol
Exact Mass256.04
IUPAC Name3-imino-N-propylpropan-1-amine;iodomethane
SMILESCI.[H]/N=C/CCNCCC
InChIInChI=1S/C6H14N2.CH3I/c1-2-5-8-6-3-4-7;1-2/h4,7-8H,2-3,5-6H2,1H3;1H3/b7-4+;
InChIKeyTVULCAVDHBPJJV-KQGICBIGSA-N
XLogP2.08
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 3-imino-N-propylpropan-1-amine;iodomethane?
The IUPAC name of 3-imino-N-propylpropan-1-amine;iodomethane (CID 161000431) is 3-imino-N-propylpropan-1-amine;iodomethane.
What is the SMILES notation for 3-imino-N-propylpropan-1-amine;iodomethane?
The canonical SMILES for 3-imino-N-propylpropan-1-amine;iodomethane is CI.[H]/N=C/CCNCCC.
What is the InChIKey of 3-imino-N-propylpropan-1-amine;iodomethane?
The InChIKey is TVULCAVDHBPJJV-KQGICBIGSA-N. The full InChI is InChI=1S/C6H14N2.CH3I/c1-2-5-8-6-3-4-7;1-2/h4,7-8H,2-3,5-6H2,1H3;1H3/b7-4+;.
What are the key properties of 3-imino-N-propylpropan-1-amine;iodomethane?
3-imino-N-propylpropan-1-amine;iodomethane has a molecular weight of 256.13 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-propylpropan-1-amine;iodomethane is sourced from PubChem (CID 161000431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).