2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine

C19H40N2 — CID 63493459

IUPAC2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCCC(C)(CNC(C)C)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H40N2/c1-8-11-19(7,14-20-16(2)3)15-21-12-9-17(10-13-21)18(4,5)6/h16-17,20H,8-15H2,1-7H3
InChIKeyKQHPZZLPGSHCSF-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.55
Rot. Bonds7

About 2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine

2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 63493459) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
PubChem CID63493459
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCCC(C)(CNC(C)C)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H40N2/c1-8-11-19(7,14-20-16(2)3)15-21-12-9-17(10-13-21)18(4,5)6/h16-17,20H,8-15H2,1-7H3
InChIKeyKQHPZZLPGSHCSF-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine (CID 63493459) is 2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine is CCCC(C)(CNC(C)C)CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is KQHPZZLPGSHCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-8-11-19(7,14-20-16(2)3)15-21-12-9-17(10-13-21)18(4,5)6/h16-17,20H,8-15H2,1-7H3.
What are the key properties of 2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 63493459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).