(Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine

C15H21N — CID 131980537

IUPAC(Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine
SMILESC=C(C#CC)C(C)(C(=C)/C=C(/C)N)C1CC1
InChIInChI=1S/C15H21N/c1-6-7-11(2)15(5,14-8-9-14)12(3)10-13(4)16/h10,14H,2-3,8-9,16H2,1,4-5H3/b13-10-
InChIKeyLQGLVOHEGFVMMM-RAXLEYEMSA-N
MW215.34 g/mol
LogP3.40
Rot. Bonds4

About (Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine

(Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine (PubChem CID 131980537) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine.

Molecular Properties

Compound Name(Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine
PubChem CID131980537
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine
SMILESC=C(C#CC)C(C)(C(=C)/C=C(/C)N)C1CC1
InChIInChI=1S/C15H21N/c1-6-7-11(2)15(5,14-8-9-14)12(3)10-13(4)16/h10,14H,2-3,8-9,16H2,1,4-5H3/b13-10-
InChIKeyLQGLVOHEGFVMMM-RAXLEYEMSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine
CID 142985174
3-cyclopropyl-3-methylbut-1-en-2-amine
CID 138648068
(Z)-5-amino-1-cyclobutylhex-4-en-3-one
CID 57438904
(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 169247779
chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane
CID 130394359
(2E)-4-methylideneocta-2,5,6-trien-2-amine
CID 176530983
1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane
CID 142012906
(3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine
CID 145179065
(3Z)-penta-1,3-diene-2,4-diamine;propane
CID 144731148
prop-1-en-2-amine;yttrium
CID 158882655
(4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane
CID 58408810
(2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine
CID 126639396

Frequently Asked Questions

What is the IUPAC name of (Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine?
The IUPAC name of (Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine (CID 131980537) is (Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine.
What is the SMILES notation for (Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine?
The canonical SMILES for (Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine is C=C(C#CC)C(C)(C(=C)/C=C(/C)N)C1CC1.
What is the InChIKey of (Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine?
The InChIKey is LQGLVOHEGFVMMM-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H21N/c1-6-7-11(2)15(5,14-8-9-14)12(3)10-13(4)16/h10,14H,2-3,8-9,16H2,1,4-5H3/b13-10-.
What are the key properties of (Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine?
(Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine has a molecular weight of 215.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine is sourced from PubChem (CID 131980537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).