N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine

C11H22INO — CID 144887236

IUPACN-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine
SMILESC=C(OCCC)C(C)(C)CCNCI
InChIInChI=1S/C11H22INO/c1-5-8-14-10(2)11(3,4)6-7-13-9-12/h13H,2,5-9H2,1,3-4H3
InChIKeyRMJUKFWZGYEVCV-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.33
Rot. Bonds8

About N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine

N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine (PubChem CID 144887236) has the molecular formula C11H22INO and a molecular weight of 311.21 g/mol. Its IUPAC name is N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine.

Molecular Properties

Compound NameN-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine
PubChem CID144887236
Molecular FormulaC11H22INO
Molecular Weight311.21 g/mol
Exact Mass311.07
IUPAC NameN-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine
SMILESC=C(OCCC)C(C)(C)CCNCI
InChIInChI=1S/C11H22INO/c1-5-8-14-10(2)11(3,4)6-7-13-9-12/h13H,2,5-9H2,1,3-4H3
InChIKeyRMJUKFWZGYEVCV-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938542
4-ethoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938639
2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640507
2-(2-ethoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640527
N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
CID 102640584
N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640592
2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine
CID 102640678
2-(2-ethoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine
CID 102640696
N-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
CID 102640751
N-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640757
2-(2-butoxyethyl)-2-methyl-N-propylbut-3-en-1-amine
CID 102640846
2-(2-ethoxyethyl)-2-methyl-N-propylbut-3-en-1-amine
CID 102640862

Frequently Asked Questions

What is the IUPAC name of N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine?
The IUPAC name of N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine (CID 144887236) is N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine.
What is the SMILES notation for N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine?
The canonical SMILES for N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine is C=C(OCCC)C(C)(C)CCNCI.
What is the InChIKey of N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine?
The InChIKey is RMJUKFWZGYEVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22INO/c1-5-8-14-10(2)11(3,4)6-7-13-9-12/h13H,2,5-9H2,1,3-4H3.
What are the key properties of N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine?
N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine has a molecular weight of 311.21 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine is sourced from PubChem (CID 144887236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).