(2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol

C14H26N2O — CID 59437168

IUPAC(2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol
SMILESN[C@H](CO)CNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H26N2O/c15-13(8-17)7-16-9-14-4-10-1-11(5-14)3-12(2-10)6-14/h10-13,16-17H,1-9,15H2/t10?,11?,12?,13-,14?/m0/s1
InChIKeyLGXNFYLHJCWBSW-PRTVBDMESA-N
MW238.37 g/mol
LogP1.11
Rot. Bonds5

About (2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol

(2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol (PubChem CID 59437168) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol.

Molecular Properties

Compound Name(2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol
PubChem CID59437168
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol
SMILESN[C@H](CO)CNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H26N2O/c15-13(8-17)7-16-9-14-4-10-1-11(5-14)3-12(2-10)6-14/h10-13,16-17H,1-9,15H2/t10?,11?,12?,13-,14?/m0/s1
InChIKeyLGXNFYLHJCWBSW-PRTVBDMESA-N
XLogP1.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol?
The IUPAC name of (2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol (CID 59437168) is (2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol.
What is the SMILES notation for (2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol?
The canonical SMILES for (2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol is N[C@H](CO)CNCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol?
The InChIKey is LGXNFYLHJCWBSW-PRTVBDMESA-N. The full InChI is InChI=1S/C14H26N2O/c15-13(8-17)7-16-9-14-4-10-1-11(5-14)3-12(2-10)6-14/h10-13,16-17H,1-9,15H2/t10?,11?,12?,13-,14?/m0/s1.
What are the key properties of (2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol?
(2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol is sourced from PubChem (CID 59437168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).