(3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine

C14H29NO — CID 118680737

IUPAC(3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine
SMILESC=C(OCCCCC(C)(C)C)[C@H](N)C(C)C
InChIInChI=1S/C14H29NO/c1-11(2)13(15)12(3)16-10-8-7-9-14(4,5)6/h11,13H,3,7-10,15H2,1-2,4-6H3/t13-/m1/s1
InChIKeyFVRPWZPBRKLJRN-CYBMUJFWSA-N
MW227.39 g/mol
LogP3.72
Rot. Bonds7

About (3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine

(3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine (PubChem CID 118680737) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine.

Molecular Properties

Compound Name(3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine
PubChem CID118680737
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine
SMILESC=C(OCCCCC(C)(C)C)[C@H](N)C(C)C
InChIInChI=1S/C14H29NO/c1-11(2)13(15)12(3)16-10-8-7-9-14(4,5)6/h11,13H,3,7-10,15H2,1-2,4-6H3/t13-/m1/s1
InChIKeyFVRPWZPBRKLJRN-CYBMUJFWSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.72
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'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine?
The IUPAC name of (3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine (CID 118680737) is (3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine.
What is the SMILES notation for (3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine?
The canonical SMILES for (3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine is C=C(OCCCCC(C)(C)C)[C@H](N)C(C)C.
What is the InChIKey of (3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine?
The InChIKey is FVRPWZPBRKLJRN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)13(15)12(3)16-10-8-7-9-14(4,5)6/h11,13H,3,7-10,15H2,1-2,4-6H3/t13-/m1/s1.
What are the key properties of (3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine?
(3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine is sourced from PubChem (CID 118680737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).