N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine

C17H36N2 — CID 103502662

IUPACN-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
SMILESCCNC(CCN1CCC(C(C)C)CC1)C(C)(C)C
InChIInChI=1S/C17H36N2/c1-7-18-16(17(4,5)6)10-13-19-11-8-15(9-12-19)14(2)3/h14-16,18H,7-13H2,1-6H3
InChIKeyXYQKHWKRTXVPGU-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds6

About N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine

N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine (PubChem CID 103502662) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
PubChem CID103502662
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
SMILESCCNC(CCN1CCC(C(C)C)CC1)C(C)(C)C
InChIInChI=1S/C17H36N2/c1-7-18-16(17(4,5)6)10-13-19-11-8-15(9-12-19)14(2)3/h14-16,18H,7-13H2,1-6H3
InChIKeyXYQKHWKRTXVPGU-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 62623024
N-ethyl-4,4-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-amine
CID 66371772
1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 62624613
N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 62624096
4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine
CID 63624701
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
1-[4,4-dimethyl-3-(methylamino)pentyl]piperidin-4-ol
CID 62625302
N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine
CID 63153082
1-cyclopropyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103497340
4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol
CID 79359785
2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol
CID 114800100
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine (CID 103502662) is N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine is CCNC(CCN1CCC(C(C)C)CC1)C(C)(C)C.
What is the InChIKey of N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine?
The InChIKey is XYQKHWKRTXVPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-18-16(17(4,5)6)10-13-19-11-8-15(9-12-19)14(2)3/h14-16,18H,7-13H2,1-6H3.
What are the key properties of N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine?
N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine is sourced from PubChem (CID 103502662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).