N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine

C11H22IN — CID 171560888

IUPACN-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine
SMILESC=CCC(C)(C)CCNC(C)(C)I
InChIInChI=1S/C11H22IN/c1-6-7-10(2,3)8-9-13-11(4,5)12/h6,13H,1,7-9H2,2-5H3
InChIKeyQFHBTEYRNDVSOL-UHFFFAOYSA-N
MW295.21 g/mol
LogP3.74
Rot. Bonds6

About N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine

N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine (PubChem CID 171560888) has the molecular formula C11H22IN and a molecular weight of 295.21 g/mol. Its IUPAC name is N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine.

Molecular Properties

Compound NameN-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine
PubChem CID171560888
Molecular FormulaC11H22IN
Molecular Weight295.21 g/mol
Exact Mass295.08
IUPAC NameN-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine
SMILESC=CCC(C)(C)CCNC(C)(C)I
InChIInChI=1S/C11H22IN/c1-6-7-10(2,3)8-9-13-11(4,5)12/h6,13H,1,7-9H2,2-5H3
InChIKeyQFHBTEYRNDVSOL-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethylhenicosa-1,20-diene
CID 173392641
15-chloro-4,4-dimethylpentadec-1-ene
CID 174926161
2,4,4-trimethylhepta-1,6-diene
CID 15205594
azane;4,4-dimethylhenicos-1-ene;hydrochloride
CID 174854097
5,5-dimethyloct-7-enoic acid
CID 155168828
6,6-dimethylnon-8-en-2-one
CID 146166947
5-fluoro-5-iodo-4,4-dimethylhex-1-ene
CID 166107161
(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
4,4,7-trimethylundec-1-ene
CID 143332601
7-bromo-4,4,6,6-tetramethylhept-1-ene
CID 89043109
4,7-dimethyldeca-1,9-diene-4,7-diamine
CID 10774290
(4-iodo-5-methyl-1,2-oxazol-3-yl)methyl N-(3,3-dimethylhex-5-enyl)carbamate
CID 166392860

Frequently Asked Questions

What is the IUPAC name of N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine?
The IUPAC name of N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine (CID 171560888) is N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine.
What is the SMILES notation for N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine?
The canonical SMILES for N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine is C=CCC(C)(C)CCNC(C)(C)I.
What is the InChIKey of N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine?
The InChIKey is QFHBTEYRNDVSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22IN/c1-6-7-10(2,3)8-9-13-11(4,5)12/h6,13H,1,7-9H2,2-5H3.
What are the key properties of N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine?
N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine has a molecular weight of 295.21 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine is sourced from PubChem (CID 171560888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).