N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine

C14H26N2 — CID 115719159

IUPACN-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NC(C)C(C)(C)C)CC1
InChIInChI=1S/C14H26N2/c1-6-9-16-10-7-13(8-11-16)15-12(2)14(3,4)5/h1,12-13,15H,7-11H2,2-5H3
InChIKeyTUKKXAZPRACLBB-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.11
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine

N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 115719159) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID115719159
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NC(C)C(C)(C)C)CC1
InChIInChI=1S/C14H26N2/c1-6-9-16-10-7-13(8-11-16)15-12(2)14(3,4)5/h1,12-13,15H,7-11H2,2-5H3
InChIKeyTUKKXAZPRACLBB-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 43758404
3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol
CID 115723071
1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
CID 43775828
N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 103903238
1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43791036
N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 43780397
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
CID 115896868
N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
N-(3,3-dimethylbutan-2-yl)cyclooctanamine
CID 104827916
N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 115713726
N-(3-methylsulfinylbutyl)-1-prop-2-ynylpiperidin-4-amine
CID 115894458
N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine
CID 64733626

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine (CID 115719159) is N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NC(C)C(C)(C)C)CC1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is TUKKXAZPRACLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-9-16-10-7-13(8-11-16)15-12(2)14(3,4)5/h1,12-13,15H,7-11H2,2-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine?
N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 222.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 115719159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).