2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide

C16H29N3O2 — CID 107471821

IUPAC2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide
SMILESCN(C)C(CNC(=O)C(CN)CC(C)(C)C)c1ccco1
InChIInChI=1S/C16H29N3O2/c1-16(2,3)9-12(10-17)15(20)18-11-13(19(4)5)14-7-6-8-21-14/h6-8,12-13H,9-11,17H2,1-5H3,(H,18,20)
InChIKeyRCORFHDULJICHK-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.01
Rot. Bonds7

About 2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide

2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide (PubChem CID 107471821) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide
PubChem CID107471821
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide
SMILESCN(C)C(CNC(=O)C(CN)CC(C)(C)C)c1ccco1
InChIInChI=1S/C16H29N3O2/c1-16(2,3)9-12(10-17)15(20)18-11-13(19(4)5)14-7-6-8-21-14/h6-8,12-13H,9-11,17H2,1-5H3,(H,18,20)
InChIKeyRCORFHDULJICHK-UHFFFAOYSA-N
XLogP2.01
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide
CID 61247741
3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid
CID 64895752
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61248108
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide
CID 81088734
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
3-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 61250548
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
CID 94775937
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide
CID 65292308

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide (CID 107471821) is 2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide is CN(C)C(CNC(=O)C(CN)CC(C)(C)C)c1ccco1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide?
The InChIKey is RCORFHDULJICHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-16(2,3)9-12(10-17)15(20)18-11-13(19(4)5)14-7-6-8-21-14/h6-8,12-13H,9-11,17H2,1-5H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide?
2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide has a molecular weight of 295.43 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 107471821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).