N-iodo-N,4-dimethylpentan-1-amine

C7H16IN — CID 147099385

IUPACN-iodo-N,4-dimethylpentan-1-amine
SMILESCC(C)CCCN(C)I
InChIInChI=1S/C7H16IN/c1-7(2)5-4-6-9(3)8/h7H,4-6H2,1-3H3
InChIKeyBKJBSNYOLZZCRB-UHFFFAOYSA-N
MW241.12 g/mol
LogP2.70
Rot. Bonds4

About N-iodo-N,4-dimethylpentan-1-amine

N-iodo-N,4-dimethylpentan-1-amine (PubChem CID 147099385) has the molecular formula C7H16IN and a molecular weight of 241.12 g/mol. Its IUPAC name is N-iodo-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-iodo-N,4-dimethylpentan-1-amine
PubChem CID147099385
Molecular FormulaC7H16IN
Molecular Weight241.12 g/mol
Exact Mass241.03
IUPAC NameN-iodo-N,4-dimethylpentan-1-amine
SMILESCC(C)CCCN(C)I
InChIInChI=1S/C7H16IN/c1-7(2)5-4-6-9(3)8/h7H,4-6H2,1-3H3
InChIKeyBKJBSNYOLZZCRB-UHFFFAOYSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine
CID 155240108
6-[iodo(methyl)amino]-3-methylhexan-2-one
CID 163874917
N,N,N',N'-tetrakis(4-methylpentyl)methanediamine
CID 135274412
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
(2S)-7-[iodo(methyl)amino]-2-methylheptan-1-ol
CID 139437964
N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine
CID 162353486
N-methyl-N-(4-methylpentyl)formamide
CID 54179007
N-(2-chloroethyl)-N,4-dimethylpentan-1-amine
CID 83168960
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
CID 90148563
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
CID 90943925
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246

Frequently Asked Questions

What is the IUPAC name of N-iodo-N,4-dimethylpentan-1-amine?
The IUPAC name of N-iodo-N,4-dimethylpentan-1-amine (CID 147099385) is N-iodo-N,4-dimethylpentan-1-amine.
What is the SMILES notation for N-iodo-N,4-dimethylpentan-1-amine?
The canonical SMILES for N-iodo-N,4-dimethylpentan-1-amine is CC(C)CCCN(C)I.
What is the InChIKey of N-iodo-N,4-dimethylpentan-1-amine?
The InChIKey is BKJBSNYOLZZCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16IN/c1-7(2)5-4-6-9(3)8/h7H,4-6H2,1-3H3.
What are the key properties of N-iodo-N,4-dimethylpentan-1-amine?
N-iodo-N,4-dimethylpentan-1-amine has a molecular weight of 241.12 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 147099385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).