6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide

C14H29N3O — CID 65292561

IUPAC6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
SMILESCC(N)CCCC(C)C(=O)NCCN1CCCC1
InChIInChI=1S/C14H29N3O/c1-12(6-5-7-13(2)15)14(18)16-8-11-17-9-3-4-10-17/h12-13H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyBQKREFKLNBSSLY-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds8

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

6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide (PubChem CID 65292561) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
PubChem CID65292561
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
SMILESCC(N)CCCC(C)C(=O)NCCN1CCCC1
InChIInChI=1S/C14H29N3O/c1-12(6-5-7-13(2)15)14(18)16-8-11-17-9-3-4-10-17/h12-13H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyBQKREFKLNBSSLY-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 104684890
2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoylamino)pentanoic acid
CID 104686613
6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide
CID 65292407
6-amino-2-methyl-N-propylheptanamide
CID 65292773
6-amino-2-methyl-N-(3-methylbutyl)heptanamide
CID 65293191
2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
CID 79201801
6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide
CID 83109295
6-amino-2-methyl-N-prop-2-ynylheptanamide
CID 65292646
6-amino-2-methyl-N-pentylheptanamide
CID 65292783
6-amino-N-(4-hydroxybutyl)-2-methylheptanamide
CID 106841939
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide?
The IUPAC name of 6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide (CID 65292561) is 6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide is CC(N)CCCC(C)C(=O)NCCN1CCCC1.
What is the InChIKey of 6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide?
The InChIKey is BQKREFKLNBSSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(6-5-7-13(2)15)14(18)16-8-11-17-9-3-4-10-17/h12-13H,3-11,15H2,1-2H3,(H,16,18).
What are the key properties of 6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide?
6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 8 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-(2-pyrrolidin-1-ylethyl)heptanamide is sourced from PubChem (CID 65292561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).