(Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine

C15H29NO — CID 143080311

IUPAC(Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine
SMILESC/C=C\O/C(=C\CC(C)(C)C)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-8-11-17-12(9-10-14(2,3)4)13(16)15(5,6)7/h8-9,11,13H,10,16H2,1-7H3/b11-8-,12-9-/t13-/m0/s1
InChIKeyDGHWOAWZFRIROL-FPGVHIETSA-N
MW239.40 g/mol
LogP4.23
Rot. Bonds4

About (Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine

(Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine (PubChem CID 143080311) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine.

Molecular Properties

Compound Name(Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine
PubChem CID143080311
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine
SMILESC/C=C\O/C(=C\CC(C)(C)C)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-8-11-17-12(9-10-14(2,3)4)13(16)15(5,6)7/h8-9,11,13H,10,16H2,1-7H3/b11-8-,12-9-/t13-/m0/s1
InChIKeyDGHWOAWZFRIROL-FPGVHIETSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.23
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

(4R,5Z)-5-methoxynona-1,5-dien-4-amine
CID 88260651
(1R)-2,2-dimethyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017378
(3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine
CID 89383878
(1R)-2,2-dimethyl-1-(3-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 142180522
(Z)-4-ethoxy-2-methylhex-4-en-3-amine
CID 142810073
(3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine
CID 142810265
(Z,3R)-4-ethoxyhex-4-en-3-amine
CID 142810338
(1R)-1-(5-tert-butyl-2,3-dihydrooxepin-7-yl)propan-1-amine
CID 142810454
(1R)-1-(2,2-dimethyl-3H-furan-5-yl)-2,2-dimethylpropan-1-amine
CID 142856764
ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine
CID 142856850
(1R)-1-(4H-pyran-2-yl)propan-1-amine
CID 142883555
(Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine
CID 142883636

Frequently Asked Questions

What is the IUPAC name of (Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine?
The IUPAC name of (Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine (CID 143080311) is (Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine.
What is the SMILES notation for (Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine?
The canonical SMILES for (Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine is C/C=C\O/C(=C\CC(C)(C)C)[C@H](N)C(C)(C)C.
What is the InChIKey of (Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine?
The InChIKey is DGHWOAWZFRIROL-FPGVHIETSA-N. The full InChI is InChI=1S/C15H29NO/c1-8-11-17-12(9-10-14(2,3)4)13(16)15(5,6)7/h8-9,11,13H,10,16H2,1-7H3/b11-8-,12-9-/t13-/m0/s1.
What are the key properties of (Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine?
(Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine has a molecular weight of 239.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine is sourced from PubChem (CID 143080311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).