N,4a,5-trimethyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-amine

C16H25N — CID 91117426

IUPACN,4a,5-trimethyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-amine
SMILESC=C(C)C1C=C(NC)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/h8-9,12-13,17H,1,6-7,10H2,2-5H3
InChIKeyYDZWQUVCGAFTMX-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.05
Rot. Bonds2

About N,4a,5-trimethyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-amine

N,4a,5-trimethyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-amine (PubChem CID 91117426) 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-4,5,6,7-tetrahydro-3H-naphthalen-1-amine.

Molecular Properties

Compound NameN,4a,5-trimethyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-amine
PubChem CID91117426
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN,4a,5-trimethyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-amine
SMILESC=C(C)C1C=C(NC)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/h8-9,12-13,17H,1,6-7,10H2,2-5H3
InChIKeyYDZWQUVCGAFTMX-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4a,5-trimethyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-amine?
The IUPAC name of N,4a,5-trimethyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-amine (CID 91117426) is N,4a,5-trimethyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-amine.
What is the SMILES notation for N,4a,5-trimethyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-amine?
The canonical SMILES for N,4a,5-trimethyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-amine is C=C(C)C1C=C(NC)C2=CCCC(C)C2(C)C1.
What is the InChIKey of N,4a,5-trimethyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-amine?
The InChIKey is YDZWQUVCGAFTMX-UHFFFAOYSA-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/h8-9,12-13,17H,1,6-7,10H2,2-5H3.
What are the key properties of N,4a,5-trimethyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-amine?
N,4a,5-trimethyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 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-4,5,6,7-tetrahydro-3H-naphthalen-1-amine is sourced from PubChem (CID 91117426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).