N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide

C17H29N3O — CID 102783640

IUPACN-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1CN
InChIInChI=1S/C17H29N3O/c1-11-2-3-20(15(11)10-18)16(21)19-17-7-12-4-13(8-17)6-14(5-12)9-17/h11-15H,2-10,18H2,1H3,(H,19,21)
InChIKeySYWMLEQZVSZWMQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.33
Rot. Bonds2

About N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide

N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide (PubChem CID 102783640) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide
PubChem CID102783640
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1CN
InChIInChI=1S/C17H29N3O/c1-11-2-3-20(15(11)10-18)16(21)19-17-7-12-4-13(8-17)6-14(5-12)9-17/h11-15H,2-10,18H2,1H3,(H,19,21)
InChIKeySYWMLEQZVSZWMQ-UHFFFAOYSA-N
XLogP2.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-2-methylpiperidine-1-carboxamide
CID 2981068
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102783447
N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide
CID 108895998
2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide
CID 102783638
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone
CID 102783465
N-(1-adamantyl)-3-methylpiperidine-1-carboxamide
CID 5141458
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 102783695
2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 102783676
N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride
CID 154904087
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 102783553
(2R,6R)-N-(1-adamantyl)-2,6-dimethylmorpholine-4-carboxamide
CID 7309747
N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide
CID 62807277

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide (CID 102783640) is N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide is CC1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1CN.
What is the InChIKey of N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide?
The InChIKey is SYWMLEQZVSZWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-11-2-3-20(15(11)10-18)16(21)19-17-7-12-4-13(8-17)6-14(5-12)9-17/h11-15H,2-10,18H2,1H3,(H,19,21).
What are the key properties of N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide?
N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 102783640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).