2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine

C17H25N — CID 65008179

IUPAC2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1(c2ccccc2)CC2(CC2)C1
InChIInChI=1S/C17H25N/c1-14(2)10-18-13-17(11-16(12-17)8-9-16)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3
InChIKeyUZBAPLRXEHTPNY-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.74
Rot. Bonds5

About 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine

2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine (PubChem CID 65008179) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine
PubChem CID65008179
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1(c2ccccc2)CC2(CC2)C1
InChIInChI=1S/C17H25N/c1-14(2)10-18-13-17(11-16(12-17)8-9-16)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3
InChIKeyUZBAPLRXEHTPNY-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine (CID 65008179) is 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine is CC(C)CNCC1(c2ccccc2)CC2(CC2)C1.
What is the InChIKey of 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine?
The InChIKey is UZBAPLRXEHTPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-14(2)10-18-13-17(11-16(12-17)8-9-16)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3.
What are the key properties of 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine?
2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 65008179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).