5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride

C8H18ClN3 — CID 87450564

IUPAC5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride
SMILESCC(C)(CCN)CCN=C=N.Cl
InChIInChI=1S/C8H17N3.ClH/c1-8(2,3-5-9)4-6-11-7-10;/h10H,3-6,9H2,1-2H3;1H
InChIKeyYSXSHWCWYGZATD-UHFFFAOYSA-N
MW191.71 g/mol
LogP1.93
Rot. Bonds5

About 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride

5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride (PubChem CID 87450564) has the molecular formula C8H18ClN3 and a molecular weight of 191.71 g/mol. Its IUPAC name is 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride
PubChem CID87450564
Molecular FormulaC8H18ClN3
Molecular Weight191.71 g/mol
Exact Mass191.12
IUPAC Name5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride
SMILESCC(C)(CCN)CCN=C=N.Cl
InChIInChI=1S/C8H17N3.ClH/c1-8(2,3-5-9)4-6-11-7-10;/h10H,3-6,9H2,1-2H3;1H
InChIKeyYSXSHWCWYGZATD-UHFFFAOYSA-N
XLogP1.93
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.71
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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
N'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride
CID 87627355
3-Ethyl-3-(ethyliminomethylideneamino)pentan-1-amine;hydrochloride
CID 88128458
3-Ethyl-3-(iminomethylideneamino)pentan-1-amine;hydrochloride
CID 88134780
5-(Iminomethylideneamino)-2,2-dimethylpentan-1-amine
CID 88454176
N'-(3,3-dimethylpentyl)methanimidamide
CID 141825820
N'-(3,3-dimethylpentan-2-yl)methanediimine;hydrochloride
CID 156113565
3-Ethyl-3-methylpentane-1,1-diamine
CID 172552904
4-(Iminomethylideneamino)-3,3-dimethylpentan-1-amine;iodomethane
CID 174610854
Sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride
CID 174856515
3,3-Diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride
CID 174959672

Frequently Asked Questions

What is the IUPAC name of 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride?
The IUPAC name of 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride (CID 87450564) is 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride.
What is the SMILES notation for 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride?
The canonical SMILES for 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride is CC(C)(CCN)CCN=C=N.Cl.
What is the InChIKey of 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride?
The InChIKey is YSXSHWCWYGZATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.ClH/c1-8(2,3-5-9)4-6-11-7-10;/h10H,3-6,9H2,1-2H3;1H.
What are the key properties of 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride?
5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride has a molecular weight of 191.71 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride is sourced from PubChem (CID 87450564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).