6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide

C17H35N3O — CID 65292407

IUPAC6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide
SMILESCC(N)CCCC(C)C(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C17H35N3O/c1-13(2)16(20-10-5-6-11-20)12-19-17(21)14(3)8-7-9-15(4)18/h13-16H,5-12,18H2,1-4H3,(H,19,21)
InChIKeyFAEVAZLALCVJJB-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.38
Rot. Bonds9

About 6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide

6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide (PubChem CID 65292407) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide
PubChem CID65292407
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide
SMILESCC(N)CCCC(C)C(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C17H35N3O/c1-13(2)16(20-10-5-6-11-20)12-19-17(21)14(3)8-7-9-15(4)18/h13-16H,5-12,18H2,1-4H3,(H,19,21)
InChIKeyFAEVAZLALCVJJB-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 80543957
6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 65292561
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 62639167
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid
CID 103496866
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 106112457
6-amino-2-methyl-N-prop-2-ynylheptanamide
CID 65292646
6-amino-2-methyl-N-propylheptanamide
CID 65292773
6-amino-2-methyl-N-(3-methylbutyl)heptanamide
CID 65293191
5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 82012268
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobut-2-enoic acid
CID 76992850
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide?
The IUPAC name of 6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide (CID 65292407) is 6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide is CC(N)CCCC(C)C(=O)NCC(C(C)C)N1CCCC1.
What is the InChIKey of 6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide?
The InChIKey is FAEVAZLALCVJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-13(2)16(20-10-5-6-11-20)12-19-17(21)14(3)8-7-9-15(4)18/h13-16H,5-12,18H2,1-4H3,(H,19,21).
What are the key properties of 6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide?
6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide has a molecular weight of 297.49 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide is sourced from PubChem (CID 65292407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).