N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine

C16H25N — CID 58587127

IUPACN,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
SMILESC=C(C)C1C/C(=N\C)C2=CCCC(C)C2(C)C1
InChIInChI=1S/C16H25N/c1-11(2)13-9-15(17-5)14-8-6-7-12(3)16(14,4)10-13/h8,12-13H,1,6-7,9-10H2,2-5H3/b17-15+
InChIKeySJDOTRUXKIASPG-BMRADRMJSA-N
MW231.38 g/mol
LogP4.41
Rot. Bonds1

About N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine

N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine (PubChem CID 58587127) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine.

Molecular Properties

Compound NameN,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
PubChem CID58587127
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
SMILESC=C(C)C1C/C(=N\C)C2=CCCC(C)C2(C)C1
InChIInChI=1S/C16H25N/c1-11(2)13-9-15(17-5)14-8-6-7-12(3)16(14,4)10-13/h8,12-13H,1,6-7,9-10H2,2-5H3/b17-15+
InChIKeySJDOTRUXKIASPG-BMRADRMJSA-N
XLogP4.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5,5-trimethyl-N-(3,3,5-trimethylcyclohexyl)cyclohex-2-en-1-imine
CID 237383
N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine
CID 135050320
6-(3,4-Dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine
CID 153339001
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
3-[(E)-but-2-en-2-yl]-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587061
(NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine
CID 58587062
5-(chloromethyl)-N,4a-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587113
3-(Cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587129
4a,5-Dimethyl-3-(3-methylbut-2-en-2-yl)-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587135
4a,5-Dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587147
(NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
CID 59842303
N,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine
CID 70991671

Frequently Asked Questions

What is the IUPAC name of N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine?
The IUPAC name of N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine (CID 58587127) is N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine.
What is the SMILES notation for N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine?
The canonical SMILES for N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine is C=C(C)C1C/C(=N\C)C2=CCCC(C)C2(C)C1.
What is the InChIKey of N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine?
The InChIKey is SJDOTRUXKIASPG-BMRADRMJSA-N. The full InChI is InChI=1S/C16H25N/c1-11(2)13-9-15(17-5)14-8-6-7-12(3)16(14,4)10-13/h8,12-13H,1,6-7,9-10H2,2-5H3/b17-15+.
What are the key properties of N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine?
N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine has a molecular weight of 231.38 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine is sourced from PubChem (CID 58587127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).