6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide

C15H31N3O — CID 65292005

IUPAC6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide
SMILESCCN1CCC(NC(=O)C(C)CCCC(C)N)CC1
InChIInChI=1S/C15H31N3O/c1-4-18-10-8-14(9-11-18)17-15(19)12(2)6-5-7-13(3)16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyMWJAFDYXCMHOSC-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds7

About 6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide

6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide (PubChem CID 65292005) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide
PubChem CID65292005
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide
SMILESCCN1CCC(NC(=O)C(C)CCCC(C)N)CC1
InChIInChI=1S/C15H31N3O/c1-4-18-10-8-14(9-11-18)17-15(19)12(2)6-5-7-13(3)16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyMWJAFDYXCMHOSC-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(4-aminocyclohexyl)-2-methylheptanamide
CID 65291413
6-amino-2-methyl-N-(oxan-4-yl)heptanamide
CID 65290448
(2S)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 107569104
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 103813279
2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
CID 54917233
(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
CID 130979651
6-amino-1-(4-ethylpiperazin-1-yl)-2-methylheptan-1-one
CID 65292796
N-(1-ethylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62637523
2-amino-N-(1-ethylpiperidin-4-yl)-2-methylpropanamide
CID 61266826
6-amino-N-(dicyclopropylmethyl)-2-methylheptanamide
CID 65291779
(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride
CID 68989076
6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 65292561

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide (CID 65292005) is 6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide is CCN1CCC(NC(=O)C(C)CCCC(C)N)CC1.
What is the InChIKey of 6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide?
The InChIKey is MWJAFDYXCMHOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-18-10-8-14(9-11-18)17-15(19)12(2)6-5-7-13(3)16/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide?
6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide is sourced from PubChem (CID 65292005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).