N-iodo-4-methylpentan-1-amine

C6H14IN — CID 137453430

IUPACN-iodo-4-methylpentan-1-amine
SMILESCC(C)CCCNI
InChIInChI=1S/C6H14IN/c1-6(2)4-3-5-8-7/h6,8H,3-5H2,1-2H3
InChIKeyMWEZQZJMRUUWMG-UHFFFAOYSA-N
MW227.09 g/mol
LogP2.36
Rot. Bonds4

About N-iodo-4-methylpentan-1-amine

N-iodo-4-methylpentan-1-amine (PubChem CID 137453430) has the molecular formula C6H14IN and a molecular weight of 227.09 g/mol. Its IUPAC name is N-iodo-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-iodo-4-methylpentan-1-amine
PubChem CID137453430
Molecular FormulaC6H14IN
Molecular Weight227.09 g/mol
Exact Mass227.02
IUPAC NameN-iodo-4-methylpentan-1-amine
SMILESCC(C)CCCNI
InChIInChI=1S/C6H14IN/c1-6(2)4-3-5-8-7/h6,8H,3-5H2,1-2H3
InChIKeyMWEZQZJMRUUWMG-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-iodoethyl)-4-methylpentan-1-amine
CID 114505662
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
N-(2-fluoroethyl)-4-methylpentan-1-amine
CID 80695827
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
N,5-dimethylhexan-1-amine;ethane
CID 142540507
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
4-methyl-N-(4-methylpentyl)pentan-1-amine;nitrous acid
CID 173099376
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 102672207

Frequently Asked Questions

What is the IUPAC name of N-iodo-4-methylpentan-1-amine?
The IUPAC name of N-iodo-4-methylpentan-1-amine (CID 137453430) is N-iodo-4-methylpentan-1-amine.
What is the SMILES notation for N-iodo-4-methylpentan-1-amine?
The canonical SMILES for N-iodo-4-methylpentan-1-amine is CC(C)CCCNI.
What is the InChIKey of N-iodo-4-methylpentan-1-amine?
The InChIKey is MWEZQZJMRUUWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14IN/c1-6(2)4-3-5-8-7/h6,8H,3-5H2,1-2H3.
What are the key properties of N-iodo-4-methylpentan-1-amine?
N-iodo-4-methylpentan-1-amine has a molecular weight of 227.09 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-4-methylpentan-1-amine is sourced from PubChem (CID 137453430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).