(2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine

C14H26N2 — CID 104867855

IUPAC(2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine
SMILESC[C@@H](CN)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H26N2/c1-10(8-15)16-9-14-5-11-2-12(6-14)4-13(3-11)7-14/h10-13,16H,2-9,15H2,1H3/t10-,11?,12?,13?,14?/m0/s1
InChIKeyQRXYAEYPFSDBNV-MWKHJINRSA-N
MW222.38 g/mol
LogP2.14
Rot. Bonds4

About (2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine

(2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine (PubChem CID 104867855) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine
PubChem CID104867855
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine
SMILESC[C@@H](CN)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H26N2/c1-10(8-15)16-9-14-5-11-2-12(6-14)4-13(3-11)7-14/h10-13,16H,2-9,15H2,1H3/t10-,11?,12?,13?,14?/m0/s1
InChIKeyQRXYAEYPFSDBNV-MWKHJINRSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Ethyladamantan-1-amine
CID 19480
N-(1-Adamantyl)ethylenediamine
CID 303798
N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine
CID 46203796
2-(1-Adamantyl)piperidine
CID 467461
2-(1-Adamantyl)pyrrolidine
CID 511811
N-methyladamantan-2-amine
CID 25334
((Adamantan-1-yl)methyl)(methyl)amine
CID 3010130
N-ethyl-3,5-dimethyl-adamantan-1-amine
CID 5276625
Tricyclo(3.3.1.1(3,7))decan-1-amine, N-(1-methylethyl)-
CID 19332
Adamantane, 1-(2-ethylaminoethyl)-, hydrochloride, hydrate
CID 33618
[(Adamantan-1-YL)methyl](methyl)amine hydrochloride
CID 16269949
N1-(adamantan-2-yl)ethane-1,2-diamine
CID 22315744

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine?
The IUPAC name of (2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine (CID 104867855) is (2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine is C[C@@H](CN)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine?
The InChIKey is QRXYAEYPFSDBNV-MWKHJINRSA-N. The full InChI is InChI=1S/C14H26N2/c1-10(8-15)16-9-14-5-11-2-12(6-14)4-13(3-11)7-14/h10-13,16H,2-9,15H2,1H3/t10-,11?,12?,13?,14?/m0/s1.
What are the key properties of (2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine?
(2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine has a molecular weight of 222.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine is sourced from PubChem (CID 104867855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).