4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane

C9H20IN3 — CID 174610854

IUPAC4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane
SMILESCC(N=C=N)C(C)(C)CCN.CI
InChIInChI=1S/C8H17N3.CH3I/c1-7(11-6-10)8(2,3)4-5-9;1-2/h7,10H,4-5,9H2,1-3H3;1H3
InChIKeyNMUYSIPXBWDRSC-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.55
Rot. Bonds4

About 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane

4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane (PubChem CID 174610854) has the molecular formula C9H20IN3 and a molecular weight of 297.18 g/mol. Its IUPAC name is 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane.

Molecular Properties

Compound Name4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane
PubChem CID174610854
Molecular FormulaC9H20IN3
Molecular Weight297.18 g/mol
Exact Mass297.07
IUPAC Name4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane
SMILESCC(N=C=N)C(C)(C)CCN.CI
InChIInChI=1S/C8H17N3.CH3I/c1-7(11-6-10)8(2,3)4-5-9;1-2/h7,10H,4-5,9H2,1-3H3;1H3
InChIKeyNMUYSIPXBWDRSC-UHFFFAOYSA-N
XLogP2.55
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

4-(Iminomethylideneamino)-3,3-dimethylpentan-1-amine
CID 21255931
4-(Iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride
CID 22050267
5-(Iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride
CID 87450564
N'-(3,3-dimethylpentan-2-yl)methanediimine
CID 156113566
azane;N'-(3,3-dimethylpentan-2-yl)methanediimine
CID 174422789
Sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride
CID 174856515
3,3-Diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride
CID 174959672
5-(Iminomethylideneamino)-3,3-dimethylpentan-1-amine
CID 87450565
N'-(3,3-diethylpentan-2-yl)methanediimine
CID 87627356
3,3-Diethyl-4-(iminomethylideneamino)pentan-1-amine
CID 174959673

Frequently Asked Questions

What is the IUPAC name of 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane?
The IUPAC name of 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane (CID 174610854) is 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane.
What is the SMILES notation for 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane?
The canonical SMILES for 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane is CC(N=C=N)C(C)(C)CCN.CI.
What is the InChIKey of 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane?
The InChIKey is NMUYSIPXBWDRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.CH3I/c1-7(11-6-10)8(2,3)4-5-9;1-2/h7,10H,4-5,9H2,1-3H3;1H3.
What are the key properties of 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane?
4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane has a molecular weight of 297.18 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane is sourced from PubChem (CID 174610854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).