3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine

C17H28N2 — CID 177124055

IUPAC3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)NC1CC(Cc2ccnc(C(C)(C)C)c2)C1
InChIInChI=1S/C17H28N2/c1-12(2)19-15-9-14(10-15)8-13-6-7-18-16(11-13)17(3,4)5/h6-7,11-12,14-15,19H,8-10H2,1-5H3
InChIKeyRSSNJZGQQRXJDQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.70
Rot. Bonds4

About 3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine

3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine (PubChem CID 177124055) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine
PubChem CID177124055
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)NC1CC(Cc2ccnc(C(C)(C)C)c2)C1
InChIInChI=1S/C17H28N2/c1-12(2)19-15-9-14(10-15)8-13-6-7-18-16(11-13)17(3,4)5/h6-7,11-12,14-15,19H,8-10H2,1-5H3
InChIKeyRSSNJZGQQRXJDQ-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine (CID 177124055) is 3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine is CC(C)NC1CC(Cc2ccnc(C(C)(C)C)c2)C1.
What is the InChIKey of 3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is RSSNJZGQQRXJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)19-15-9-14(10-15)8-13-6-7-18-16(11-13)17(3,4)5/h6-7,11-12,14-15,19H,8-10H2,1-5H3.
What are the key properties of 3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine?
3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-4-pyridinyl)methyl]-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 177124055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).