(3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide

C14H29N3O — CID 95907873

IUPAC(3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
SMILESCCN(CC)[C@H]1CCN(C(=O)NCCC(C)C)C1
InChIInChI=1S/C14H29N3O/c1-5-16(6-2)13-8-10-17(11-13)14(18)15-9-7-12(3)4/h12-13H,5-11H2,1-4H3,(H,15,18)/t13-/m0/s1
InChIKeyRQRIZGUSOBYPDU-ZDUSSCGKSA-N
MW255.41 g/mol
LogP2.16
Rot. Bonds6

About (3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide

(3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide (PubChem CID 95907873) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is (3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
PubChem CID95907873
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name(3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
SMILESCCN(CC)[C@H]1CCN(C(=O)NCCC(C)C)C1
InChIInChI=1S/C14H29N3O/c1-5-16(6-2)13-8-10-17(11-13)14(18)15-9-7-12(3)4/h12-13H,5-11H2,1-4H3,(H,15,18)/t13-/m0/s1
InChIKeyRQRIZGUSOBYPDU-ZDUSSCGKSA-N
XLogP2.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-N-ethylpyrrolidine-1-carboxamide
CID 68378697
Urea, (1-ethyl-3-pyrrolidinyl)-
CID 209543
3-Methyl-1-(pyrrolidin-3-yl)urea
CID 22504281
1,3,3-Trimethyl-1-(pyrrolidin-3-yl)urea
CID 79154183
4,4-Dimethyl-1-tert-butylimidazolidin-2-one
CID 6422222
N-(1-Cyclohexylpyrrolidin-3-yl)-N'-propan-2-ylcarbamimidic acid
CID 209545
1-[3-(Dimethylamino)propyl]imidazolidin-2-one
CID 17776604
4-(Propan-2-yl)imidazolidin-2-one
CID 22218817
N-(1,5-Dimethylpyrrolidin-3-yl)pyrrolidine-1-carboxamide
CID 53424206
(3S)-3-amino-N,N-dimethylpyrrolidine-1-carboxamide dihydrochloride
CID 165586968
1-Methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1-(1-methylpyrrolidin-3-yl)urea
CID 172434454
1-Methyl-3-(piperidin-4-yl)imidazolidin-2-one
CID 23463798

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide (CID 95907873) is (3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide is CCN(CC)[C@H]1CCN(C(=O)NCCC(C)C)C1.
What is the InChIKey of (3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
The InChIKey is RQRIZGUSOBYPDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-16(6-2)13-8-10-17(11-13)14(18)15-9-7-12(3)4/h12-13H,5-11H2,1-4H3,(H,15,18)/t13-/m0/s1.
What are the key properties of (3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
(3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95907873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).