1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium

C16H27N2O+ — CID 9358552

IUPAC1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH2+]C12CC3CC(CC(C3)C1)C2)C(=O)NC1CC1
InChIInChI=1S/C16H26N2O/c1-10(15(19)17-14-2-3-14)18-16-7-11-4-12(8-16)6-13(5-11)9-16/h10-14,18H,2-9H2,1H3,(H,17,19)/p+1/t10-,11?,12?,13?,16?/m0/s1
InChIKeyZJXLYWOUAQJRCP-HXTFMFRQSA-O
MW263.40 g/mol
LogP1.19
Rot. Bonds4

About 1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium

1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium (PubChem CID 9358552) has the molecular formula C16H27N2O+ and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
PubChem CID9358552
Molecular FormulaC16H27N2O+
Molecular Weight263.40 g/mol
Exact Mass263.21
IUPAC Name1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH2+]C12CC3CC(CC(C3)C1)C2)C(=O)NC1CC1
InChIInChI=1S/C16H26N2O/c1-10(15(19)17-14-2-3-14)18-16-7-11-4-12(8-16)6-13(5-11)9-16/h10-14,18H,2-9H2,1H3,(H,17,19)/p+1/t10-,11?,12?,13?,16?/m0/s1
InChIKeyZJXLYWOUAQJRCP-HXTFMFRQSA-O
XLogP1.19
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of 1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium (CID 9358552) is 1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for 1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for 1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium is C[C@H]([NH2+]C12CC3CC(CC(C3)C1)C2)C(=O)NC1CC1.
What is the InChIKey of 1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is ZJXLYWOUAQJRCP-HXTFMFRQSA-O. The full InChI is InChI=1S/C16H26N2O/c1-10(15(19)17-14-2-3-14)18-16-7-11-4-12(8-16)6-13(5-11)9-16/h10-14,18H,2-9H2,1H3,(H,17,19)/p+1/t10-,11?,12?,13?,16?/m0/s1.
What are the key properties of 1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium?
1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 263.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 9358552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).