(3R)-1-(1-adamantylmethyl)piperidin-3-amine

C16H28N2 — CID 102984699

IUPAC(3R)-1-(1-adamantylmethyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H28N2/c17-15-2-1-3-18(10-15)11-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-15H,1-11,17H2/t12?,13?,14?,15-,16?/m1/s1
InChIKeyQXNPRFGDMVCMNO-IBHBGHMQSA-N
MW248.41 g/mol
LogP2.63
Rot. Bonds2

About (3R)-1-(1-adamantylmethyl)piperidin-3-amine

(3R)-1-(1-adamantylmethyl)piperidin-3-amine (PubChem CID 102984699) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (3R)-1-(1-adamantylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(1-adamantylmethyl)piperidin-3-amine
PubChem CID102984699
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(3R)-1-(1-adamantylmethyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H28N2/c17-15-2-1-3-18(10-15)11-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-15H,1-11,17H2/t12?,13?,14?,15-,16?/m1/s1
InChIKeyQXNPRFGDMVCMNO-IBHBGHMQSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantylmethyl)pyrrolidin-3-amine
CID 55029770
2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol
CID 114799708
1-[[1-(dimethylamino)cyclopentyl]methyl]piperidin-3-amine
CID 83115160
1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid
CID 63030675
1-(1-adamantylmethyl)azetidin-3-ol
CID 63282389
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
1-(2-bromoethyl)piperidin-3-amine
CID 130905726
(3aR,6aS)-2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138578286
4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride
CID 2858113
1-[(3R)-3-aminopiperidin-1-yl]piperidin-3-amine
CID 174874713
1-(3-aminopiperidin-1-yl)piperidin-3-amine
CID 174794184
2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid
CID 64617514

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-adamantylmethyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(1-adamantylmethyl)piperidin-3-amine (CID 102984699) is (3R)-1-(1-adamantylmethyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(1-adamantylmethyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(1-adamantylmethyl)piperidin-3-amine is N[C@@H]1CCCN(CC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of (3R)-1-(1-adamantylmethyl)piperidin-3-amine?
The InChIKey is QXNPRFGDMVCMNO-IBHBGHMQSA-N. The full InChI is InChI=1S/C16H28N2/c17-15-2-1-3-18(10-15)11-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-15H,1-11,17H2/t12?,13?,14?,15-,16?/m1/s1.
What are the key properties of (3R)-1-(1-adamantylmethyl)piperidin-3-amine?
(3R)-1-(1-adamantylmethyl)piperidin-3-amine has a molecular weight of 248.41 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-adamantylmethyl)piperidin-3-amine is sourced from PubChem (CID 102984699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).