(3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine

C14H29NO — CID 163740539

IUPAC(3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine
SMILESC=C(OCC(C)(C)C(C)(C)C)[C@@H](N)C(C)C
InChIInChI=1S/C14H29NO/c1-10(2)12(15)11(3)16-9-14(7,8)13(4,5)6/h10,12H,3,9,15H2,1-2,4-8H3/t12-/m0/s1
InChIKeyVBVZQFAKWXKKPP-LBPRGKRZSA-N
MW227.39 g/mol
LogP3.57
Rot. Bonds5

About (3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine

(3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine (PubChem CID 163740539) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine
PubChem CID163740539
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine
SMILESC=C(OCC(C)(C)C(C)(C)C)[C@@H](N)C(C)C
InChIInChI=1S/C14H29NO/c1-10(2)12(15)11(3)16-9-14(7,8)13(4,5)6/h10,12H,3,9,15H2,1-2,4-8H3/t12-/m0/s1
InChIKeyVBVZQFAKWXKKPP-LBPRGKRZSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3-Dimethylpent-1-en-2-yloxy)ethanamine
CID 18717509
2-Ethoxy-5-methylhex-1-en-3-amine
CID 88997329
(3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine
CID 89383878
(3R)-2-methoxy-4-methylpent-1-en-3-amine
CID 118521566
(3R)-2-(5,5-dimethylhexoxy)-4-methylpent-1-en-3-amine
CID 118680737
2-Ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine
CID 123680738
(3S)-4-methyl-2-[(2-methylpropan-2-yl)oxy]pent-1-en-3-amine
CID 124115253
2-Butoxy-4-methylpent-1-en-3-amine
CID 126663156
3-Butoxybut-3-en-2-amine
CID 126663219
(2R)-3-(2-methylpropoxy)but-3-en-2-amine
CID 130402785
2-(4-Methylpent-1-en-2-yloxy)ethanamine
CID 139574097
2-Methoxy-4-methylpent-1-en-3-amine
CID 143633727

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine?
The IUPAC name of (3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine (CID 163740539) is (3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine.
What is the SMILES notation for (3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine?
The canonical SMILES for (3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine is C=C(OCC(C)(C)C(C)(C)C)[C@@H](N)C(C)C.
What is the InChIKey of (3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine?
The InChIKey is VBVZQFAKWXKKPP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H29NO/c1-10(2)12(15)11(3)16-9-14(7,8)13(4,5)6/h10,12H,3,9,15H2,1-2,4-8H3/t12-/m0/s1.
What are the key properties of (3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine?
(3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine is sourced from PubChem (CID 163740539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).