N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine

C15H32N2 — CID 62561731

IUPACN-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCCC1CCCN(CCNCCC(C)(C)C)C1
InChIInChI=1S/C15H32N2/c1-5-14-7-6-11-17(13-14)12-10-16-9-8-15(2,3)4/h14,16H,5-13H2,1-4H3
InChIKeyDNQFAEKZJYQZBC-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine

N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 62561731) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID62561731
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCCC1CCCN(CCNCCC(C)(C)C)C1
InChIInChI=1S/C15H32N2/c1-5-14-7-6-11-17(13-14)12-10-16-9-8-15(2,3)4/h14,16H,5-13H2,1-4H3
InChIKeyDNQFAEKZJYQZBC-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-ethylpiperidin-1-yl)ethyl]butan-1-amine
CID 62560238
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 60851535
2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 55090292
N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine
CID 62560982
N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
CID 143093891
N-[2-(3-ethylpiperidin-1-yl)ethyl]aniline
CID 60860775
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561718
N-[2-(3-ethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine
CID 55090197
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 103540057
1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine
CID 62624076
N-[3-(3-ethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60867302

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine (CID 62561731) is N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine is CCC1CCCN(CCNCCC(C)(C)C)C1.
What is the InChIKey of N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is DNQFAEKZJYQZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-14-7-6-11-17(13-14)12-10-16-9-8-15(2,3)4/h14,16H,5-13H2,1-4H3.
What are the key properties of N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 62561731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).