6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide

C16H29N3O2 — CID 65292308

IUPAC6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C16H29N3O2/c1-12(7-5-8-13(2)17)16(20)18-11-14(19(3)4)15-9-6-10-21-15/h6,9-10,12-14H,5,7-8,11,17H2,1-4H3,(H,18,20)
InChIKeyCJGXRAMMMYZREH-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.15
Rot. Bonds9

About 6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide

6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide (PubChem CID 65292308) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide
PubChem CID65292308
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C16H29N3O2/c1-12(7-5-8-13(2)17)16(20)18-11-14(19(3)4)15-9-6-10-21-15/h6,9-10,12-14H,5,7-8,11,17H2,1-4H3,(H,18,20)
InChIKeyCJGXRAMMMYZREH-UHFFFAOYSA-N
XLogP2.15
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61248108
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide
CID 81088734
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
CID 94775937
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-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 110892196
2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide
CID 107471821
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 167985721
1-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465992

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide?
The IUPAC name of 6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide (CID 65292308) is 6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide?
The canonical SMILES for 6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide is CC(N)CCCC(C)C(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of 6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide?
The InChIKey is CJGXRAMMMYZREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(7-5-8-13(2)17)16(20)18-11-14(19(3)4)15-9-6-10-21-15/h6,9-10,12-14H,5,7-8,11,17H2,1-4H3,(H,18,20).
What are the key properties of 6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide?
6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide has a molecular weight of 295.43 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide is sourced from PubChem (CID 65292308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).