4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine

C17H28N2 — CID 104735914

IUPAC4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(N)(Cc2cccnc2)CC1
InChIInChI=1S/C17H28N2/c1-16(2,3)15-7-4-9-17(18,10-8-15)12-14-6-5-11-19-13-14/h5-6,11,13,15H,4,7-10,12,18H2,1-3H3
InChIKeyNMQUUAGZGAKBKT-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.95
Rot. Bonds2

About 4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine

4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine (PubChem CID 104735914) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine
PubChem CID104735914
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(N)(Cc2cccnc2)CC1
InChIInChI=1S/C17H28N2/c1-16(2,3)15-7-4-9-17(18,10-8-15)12-14-6-5-11-19-13-14/h5-6,11,13,15H,4,7-10,12,18H2,1-3H3
InChIKeyNMQUUAGZGAKBKT-UHFFFAOYSA-N
XLogP3.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 104735858
3-methyl-1-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104735900
1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 162146330
4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine
CID 65089483
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60799490
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine
CID 65090155
4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine
CID 54861250
4-(pyridin-3-ylmethyl)piperidin-4-amine
CID 86277721
2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
CID 104735626
1-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcycloheptan-1-amine
CID 65089915
2-cyclohexyl-1-pyridin-3-ylpropan-2-ol
CID 114795036
2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 113446872

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine (CID 104735914) is 4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine is CC(C)(C)C1CCCC(N)(Cc2cccnc2)CC1.
What is the InChIKey of 4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine?
The InChIKey is NMQUUAGZGAKBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-16(2,3)15-7-4-9-17(18,10-8-15)12-14-6-5-11-19-13-14/h5-6,11,13,15H,4,7-10,12,18H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine?
4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 104735914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).