2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide

C14H29N3O — CID 77143929

IUPAC2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide
SMILESCC(C)C(N)C(=O)N(CC1CCN(C)C1)C(C)C
InChIInChI=1S/C14H29N3O/c1-10(2)13(15)14(18)17(11(3)4)9-12-6-7-16(5)8-12/h10-13H,6-9,15H2,1-5H3
InChIKeyPQAYVJPHLNGMAE-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.16
Rot. Bonds5

About 2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide

2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide (PubChem CID 77143929) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide
PubChem CID77143929
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide
SMILESCC(C)C(N)C(=O)N(CC1CCN(C)C1)C(C)C
InChIInChI=1S/C14H29N3O/c1-10(2)13(15)14(18)17(11(3)4)9-12-6-7-16(5)8-12/h10-13H,6-9,15H2,1-5H3
InChIKeyPQAYVJPHLNGMAE-UHFFFAOYSA-N
XLogP1.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 66565973
2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide
CID 96553388
(2S)-2-amino-3-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylbutanamide
CID 66565957
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide
CID 121226146
N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide
CID 66567701
(2S)-2-amino-N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 66565879
2-chloro-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-N-propan-2-ylacetamide
CID 96553344
tert-butyl (3S)-3-[[[(2S)-2-aminopropanoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate
CID 96552182
3-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 64894600
2-amino-N-ethyl-3-methyl-N-propan-2-ylbutanamide
CID 43265863
2-amino-N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850275

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide?
The IUPAC name of 2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide (CID 77143929) is 2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide is CC(C)C(N)C(=O)N(CC1CCN(C)C1)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide?
The InChIKey is PQAYVJPHLNGMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10(2)13(15)14(18)17(11(3)4)9-12-6-7-16(5)8-12/h10-13H,6-9,15H2,1-5H3.
What are the key properties of 2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide?
2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide has a molecular weight of 255.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 77143929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).