4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine

C17H28N2 — CID 65090954

IUPAC4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(NCc2ccccn2)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)14-7-6-9-15(11-10-14)19-13-16-8-4-5-12-18-16/h4-5,8,12,14-15,19H,6-7,9-11,13H2,1-3H3
InChIKeyWOEGYDVDGNOLNI-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.17
Rot. Bonds3

About 4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine

4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine (PubChem CID 65090954) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
PubChem CID65090954
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(NCc2ccccn2)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)14-7-6-9-15(11-10-14)19-13-16-8-4-5-12-18-16/h4-5,8,12,14-15,19H,6-7,9-11,13H2,1-3H3
InChIKeyWOEGYDVDGNOLNI-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434617
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092
trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
CID 93317323
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455
4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65090187
3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 115656374
4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
CID 43433255

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine (CID 65090954) is 4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine is CC(C)(C)C1CCCC(NCc2ccccn2)CC1.
What is the InChIKey of 4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine?
The InChIKey is WOEGYDVDGNOLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)14-7-6-9-15(11-10-14)19-13-16-8-4-5-12-18-16/h4-5,8,12,14-15,19H,6-7,9-11,13H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine?
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 65090954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).