6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one

C14H29N3O — CID 55157992

IUPAC6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one
SMILESCCN(CC)C1CCN(C(=O)CCCCCN)C1
InChIInChI=1S/C14H29N3O/c1-3-16(4-2)13-9-11-17(12-13)14(18)8-6-5-7-10-15/h13H,3-12,15H2,1-2H3
InChIKeyQTTHEHAMPHFCMH-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.45
Rot. Bonds8

About 6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one

6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one (PubChem CID 55157992) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one
PubChem CID55157992
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one
SMILESCCN(CC)C1CCN(C(=O)CCCCCN)C1
InChIInChI=1S/C14H29N3O/c1-3-16(4-2)13-9-11-17(12-13)14(18)8-6-5-7-10-15/h13H,3-12,15H2,1-2H3
InChIKeyQTTHEHAMPHFCMH-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

3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 60952932
6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532834
7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
CID 119806012
5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one
CID 114014883
6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one
CID 178062004
6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one
CID 170126914
7-amino-1-(3-ethoxypiperidin-1-yl)heptan-1-one
CID 54990000
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone
CID 64592292
1-(5-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568080
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
4-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120595144

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one?
The IUPAC name of 6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one (CID 55157992) is 6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for 6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for 6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one is CCN(CC)C1CCN(C(=O)CCCCCN)C1.
What is the InChIKey of 6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one?
The InChIKey is QTTHEHAMPHFCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-16(4-2)13-9-11-17(12-13)14(18)8-6-5-7-10-15/h13H,3-12,15H2,1-2H3.
What are the key properties of 6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one?
6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-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 6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one is sourced from PubChem (CID 55157992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).