(5S,7R)-3-chloroadamantan-1-amine

C10H16ClN — CID 24721241

IUPAC(5S,7R)-3-chloroadamantan-1-amine
SMILESNC12C[C@H]3C[C@@H](C1)CC(Cl)(C3)C2
InChIInChI=1S/C10H16ClN/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8H,1-6,12H2/t7-,8+,9?,10?
InChIKeySPJODTPXLKRPMD-BQKDNTBBSA-N
MW185.70 g/mol
LogP2.28
Rot. Bonds

About (5S,7R)-3-chloroadamantan-1-amine

(5S,7R)-3-chloroadamantan-1-amine (PubChem CID 24721241) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is (5S,7R)-3-chloroadamantan-1-amine.

Molecular Properties

Compound Name(5S,7R)-3-chloroadamantan-1-amine
PubChem CID24721241
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name(5S,7R)-3-chloroadamantan-1-amine
SMILESNC12C[C@H]3C[C@@H](C1)CC(Cl)(C3)C2
InChIInChI=1S/C10H16ClN/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8H,1-6,12H2/t7-,8+,9?,10?
InChIKeySPJODTPXLKRPMD-BQKDNTBBSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine
CID 56845538
(5R,7R)-3-chloroadamantan-1-ol
CID 6932408
(5S,7R)-3-bromoadamantan-1-amine
CID 97466147
(5S,7R)-3-(aminomethyl)adamantan-1-amine
CID 818515
(3-chloro-1-adamantyl)methylazanium
CID 4061294
(5R,7R)-3-chloroadamantane-1-carboxylic acid
CID 6361268
3-aminoadamantane-1-carboxamide
CID 67083536
1-chloro-3-propan-2-yladamantane;ethane
CID 163421453
1-(3-amino-1-adamantyl)ethanethiol
CID 175972280
tricyclo[3.3.1.03,7]nonane-3,7-diamine
CID 10855666
(5S,7R)-3-(2-fluoroethyl)adamantan-1-amine;hydrochloride
CID 170907857
2-[(5R,7R)-3-amino-1-adamantyl]acetic acid
CID 6939156

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-chloroadamantan-1-amine?
The IUPAC name of (5S,7R)-3-chloroadamantan-1-amine (CID 24721241) is (5S,7R)-3-chloroadamantan-1-amine.
What is the SMILES notation for (5S,7R)-3-chloroadamantan-1-amine?
The canonical SMILES for (5S,7R)-3-chloroadamantan-1-amine is NC12C[C@H]3C[C@@H](C1)CC(Cl)(C3)C2.
What is the InChIKey of (5S,7R)-3-chloroadamantan-1-amine?
The InChIKey is SPJODTPXLKRPMD-BQKDNTBBSA-N. The full InChI is InChI=1S/C10H16ClN/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8H,1-6,12H2/t7-,8+,9?,10?.
What are the key properties of (5S,7R)-3-chloroadamantan-1-amine?
(5S,7R)-3-chloroadamantan-1-amine has a molecular weight of 185.70 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-chloroadamantan-1-amine is sourced from PubChem (CID 24721241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).