(4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine

C16H24BrN — CID 153376348

IUPAC(4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine
SMILESC=C/C=C1\C(=C)C2CC(C)(Br)CC(N)(C2)CC1C
InChIInChI=1S/C16H24BrN/c1-5-6-14-11(2)7-16(18)9-13(12(14)3)8-15(4,17)10-16/h5-6,11,13H,1,3,7-10,18H2,2,4H3/b14-6-
InChIKeyNVWNKEJCAKYBRR-NSIKDUERSA-N
MW310.28 g/mol
LogP4.35
Rot. Bonds1

About (4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine

(4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine (PubChem CID 153376348) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is (4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine.

Molecular Properties

Compound Name(4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine
PubChem CID153376348
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name(4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine
SMILESC=C/C=C1\C(=C)C2CC(C)(Br)CC(N)(C2)CC1C
InChIInChI=1S/C16H24BrN/c1-5-6-14-11(2)7-16(18)9-13(12(14)3)8-15(4,17)10-16/h5-6,11,13H,1,3,7-10,18H2,2,4H3/b14-6-
InChIKeyNVWNKEJCAKYBRR-NSIKDUERSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,4S)-4-methyl-2-methylidene-3-prop-2-enylideneoxane
CID 143654517
(3Z,4R)-4-methyl-2-methylidene-3-prop-2-enylideneoxane
CID 143673822
4-ethylidene-1,1,3-trimethyl-5-methylidenecyclohexane
CID 123862800
4-methylideneadamantan-1-amine
CID 58192813
ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane
CID 157035804
7-prop-2-enylidenebicyclo[2.2.1]heptane
CID 171053322
(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
CID 145474101
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-1-amine
CID 21387451
ethane;(2E,3Z)-3-ethylidene-4,4,5-trimethyl-2-prop-2-enylidenecyclohexan-1-ol
CID 145193397
azane;1,3-dimethylbicyclo[3.1.0]hexane
CID 175419349
(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1,3-dioxolane
CID 143523658
(6E)-3,7-dimethyl-1-phenyl-6-prop-2-enylidenebicyclo[3.3.1]nonane-3-carboxylic acid
CID 162525408

Frequently Asked Questions

What is the IUPAC name of (4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine?
The IUPAC name of (4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine (CID 153376348) is (4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine.
What is the SMILES notation for (4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine?
The canonical SMILES for (4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine is C=C/C=C1\C(=C)C2CC(C)(Br)CC(N)(C2)CC1C.
What is the InChIKey of (4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine?
The InChIKey is NVWNKEJCAKYBRR-NSIKDUERSA-N. The full InChI is InChI=1S/C16H24BrN/c1-5-6-14-11(2)7-16(18)9-13(12(14)3)8-15(4,17)10-16/h5-6,11,13H,1,3,7-10,18H2,2,4H3/b14-6-.
What are the key properties of (4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine?
(4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-8-bromo-3,8-dimethyl-5-methylidene-4-prop-2-enylidenebicyclo[4.3.1]decan-1-amine is sourced from PubChem (CID 153376348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).