N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine

C17H30N2 — CID 63301466

IUPACN-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCN(CCC12CC3CC(CC(C3)C1)C2)C1CCNC1
InChIInChI=1S/C17H30N2/c1-19(16-2-4-18-12-16)5-3-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-16,18H,2-12H2,1H3
InChIKeyRCIPFUNUQIUNFT-UHFFFAOYSA-N
MW262.44 g/mol
LogP2.89
Rot. Bonds4

About N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine

N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine (PubChem CID 63301466) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine
PubChem CID63301466
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCN(CCC12CC3CC(CC(C3)C1)C2)C1CCNC1
InChIInChI=1S/C17H30N2/c1-19(16-2-4-18-12-16)5-3-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-16,18H,2-12H2,1H3
InChIKeyRCIPFUNUQIUNFT-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[methyl(pyrrolidin-3-yl)amino]ethyl]cyclopropan-1-ol
CID 84659730
2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79702615
methane;(3R)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 157275327
2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442602
3-[methyl(pyrrolidin-3-yl)amino]propanoic acid
CID 63301426
4-[methyl(pyrrolidin-3-yl)amino]butanenitrile
CID 63301779
2-[methyl(pyrrolidin-3-yl)amino]ethanesulfinate
CID 84664322
N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
CID 18770418
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine
CID 104565137
N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 63727042
3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol
CID 114230783
N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine
CID 113285775

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine (CID 63301466) is N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine is CN(CCC12CC3CC(CC(C3)C1)C2)C1CCNC1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine?
The InChIKey is RCIPFUNUQIUNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-19(16-2-4-18-12-16)5-3-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-16,18H,2-12H2,1H3.
What are the key properties of N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine?
N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine has a molecular weight of 262.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 63301466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).