7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one

C14H29N3O — CID 62889816

IUPAC7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one
SMILESCN(C)CC1CCCN1C(=O)CCCCCCN
InChIInChI=1S/C14H29N3O/c1-16(2)12-13-8-7-11-17(13)14(18)9-5-3-4-6-10-15/h13H,3-12,15H2,1-2H3
InChIKeyWGVJQSSNSOHFHE-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.45
Rot. Bonds8

About 7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one

7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one (PubChem CID 62889816) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one.

Molecular Properties

Compound Name7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one
PubChem CID62889816
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one
SMILESCN(C)CC1CCCN1C(=O)CCCCCCN
InChIInChI=1S/C14H29N3O/c1-16(2)12-13-8-7-11-17(13)14(18)9-5-3-4-6-10-15/h13H,3-12,15H2,1-2H3
InChIKeyWGVJQSSNSOHFHE-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 53399018
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43579311
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742
7-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]heptan-1-one
CID 66055629
1-[2-(2-aminoethyl)pyrrolidin-1-yl]heptan-1-one
CID 90749675
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
CID 63767295
7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one
CID 63905461
N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944857
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
2-(1-aminocyclobutyl)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 79854828

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one?
The IUPAC name of 7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one (CID 62889816) is 7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one.
What is the SMILES notation for 7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one?
The canonical SMILES for 7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one is CN(C)CC1CCCN1C(=O)CCCCCCN.
What is the InChIKey of 7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one?
The InChIKey is WGVJQSSNSOHFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-16(2)12-13-8-7-11-17(13)14(18)9-5-3-4-6-10-15/h13H,3-12,15H2,1-2H3.
What are the key properties of 7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one?
7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one is sourced from PubChem (CID 62889816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).