N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine

C18H35N — CID 65094890

IUPACN-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CC12CCCC(C(C)(C)C)CC2
InChIInChI=1S/C18H35N/c1-16(2,3)14-8-7-10-18(11-9-14)12-15(18)13-19-17(4,5)6/h14-15,19H,7-13H2,1-6H3
InChIKeyJYIFKKQVKCFBQY-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds2

About N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine

N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 65094890) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID65094890
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CC12CCCC(C(C)(C)C)CC2
InChIInChI=1S/C18H35N/c1-16(2,3)14-8-7-10-18(11-9-14)12-15(18)13-19-17(4,5)6/h14-15,19H,7-13H2,1-6H3
InChIKeyJYIFKKQVKCFBQY-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine
CID 65094892
N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine
CID 62712630
2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine
CID 63512650
N-[(2-cyclopentyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine
CID 62714405
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63474782
N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine
CID 65087341
2-[4-tert-butyl-1-(dimethylamino)cycloheptyl]acetic acid
CID 65094580
4-tert-butylspiro[4.4]nonane
CID 140778111
N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 106323491
2-(2,2-dimethylpropyl)spiro[2.4]heptane
CID 140612167
N-(spiro[2.11]tetradecan-2-ylmethyl)ethanamine
CID 63513335
N-(spiro[2.6]nonan-2-ylmethyl)cyclopropanamine
CID 62712980

Frequently Asked Questions

What is the IUPAC name of N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine (CID 65094890) is N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CC12CCCC(C(C)(C)C)CC2.
What is the InChIKey of N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is JYIFKKQVKCFBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-16(2,3)14-8-7-10-18(11-9-14)12-15(18)13-19-17(4,5)6/h14-15,19H,7-13H2,1-6H3.
What are the key properties of N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine?
N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 265.48 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65094890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).