(3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine

C17H28N2 — CID 79987323

IUPAC(3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H28N2/c1-15-7-13-8-16(2,10-15)12-17(9-13,11-15)14(18)19-5-3-4-6-19/h13,18H,3-12H2,1-2H3/b18-14-
InChIKeyQBNIHUCXLIYKDP-JXAWBTAJSA-N
MW260.42 g/mol
LogP4.06
Rot. Bonds1

About (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine

(3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine (PubChem CID 79987323) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine
PubChem CID79987323
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name(3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H28N2/c1-15-7-13-8-16(2,10-15)12-17(9-13,11-15)14(18)19-5-3-4-6-19/h13,18H,3-12H2,1-2H3/b18-14-
InChIKeyQBNIHUCXLIYKDP-JXAWBTAJSA-N
XLogP4.06
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-adamantyl(piperidin-1-yl)methanimine
CID 63179713
(3,5-dimethyl-1-adamantyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6468261
(4-bromopiperidin-1-yl)-(3,5-dimethyl-1-adamantyl)methanone
CID 80655445
1-(azepan-1-yl)-2-[4-(3,5-dimethyladamantane-1-carbonyl)piperazin-1-yl]ethanone
CID 112799001
(3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone
CID 112793031
(3,5-dimethyl-1-adamantyl)-(4-methylpiperazin-1-yl)methanone chloride
CID 53351415
bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766
(1-methoxycyclobutyl)-pyrrolidin-1-ylmethanimine
CID 116732437
(3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79423039
1-(3,5-dimethyl-1-adamantyl)pent-4-yn-1-one
CID 79986474
(3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 119564263
(3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644766

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine (CID 79987323) is (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine is [H]/N=C(\N1CCCC1)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine?
The InChIKey is QBNIHUCXLIYKDP-JXAWBTAJSA-N. The full InChI is InChI=1S/C17H28N2/c1-15-7-13-8-16(2,10-15)12-17(9-13,11-15)14(18)19-5-3-4-6-19/h13,18H,3-12H2,1-2H3/b18-14-.
What are the key properties of (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine?
(3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine has a molecular weight of 260.42 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 79987323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).