(4R)-1-methylazocan-4-amine

C8H18N2 — CID 166102588

IUPAC(4R)-1-methylazocan-4-amine
SMILESCN1CCCC[C@@H](N)CC1
InChIInChI=1S/C8H18N2/c1-10-6-3-2-4-8(9)5-7-10/h8H,2-7,9H2,1H3/t8-/m1/s1
InChIKeyZGTYXGKUCJYHTE-MRVPVSSYSA-N
MW142.25 g/mol
LogP0.82
Rot. Bonds

About (4R)-1-methylazocan-4-amine

(4R)-1-methylazocan-4-amine (PubChem CID 166102588) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (4R)-1-methylazocan-4-amine.

Molecular Properties

Compound Name(4R)-1-methylazocan-4-amine
PubChem CID166102588
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(4R)-1-methylazocan-4-amine
SMILESCN1CCCC[C@@H](N)CC1
InChIInChI=1S/C8H18N2/c1-10-6-3-2-4-8(9)5-7-10/h8H,2-7,9H2,1H3/t8-/m1/s1
InChIKeyZGTYXGKUCJYHTE-MRVPVSSYSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutanamine;1-methylpyrrolidine
CID 167503696
ethane;1-methylpiperidin-4-amine
CID 123622295
1-(1-methylazepan-4-yl)piperidin-4-amine
CID 65074908
di(piperidin-1-yl)methanone;1-methylpiperidin-4-amine
CID 174339916
1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552910
1,4-dimethyl-azacycloundecane
CID 89347639
methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 158500859
1-N-(1-methylpiperidin-4-yl)piperidine-1,4-diamine
CID 145481101
methanamine;1-methylazepane
CID 142229560
1-methylpyrrolidine;phosphane
CID 159655297
ethane;bis(1-methylpyrrolidine)
CID 153385238
azane;cyclopentanamine
CID 69254255

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methylazocan-4-amine?
The IUPAC name of (4R)-1-methylazocan-4-amine (CID 166102588) is (4R)-1-methylazocan-4-amine.
What is the SMILES notation for (4R)-1-methylazocan-4-amine?
The canonical SMILES for (4R)-1-methylazocan-4-amine is CN1CCCC[C@@H](N)CC1.
What is the InChIKey of (4R)-1-methylazocan-4-amine?
The InChIKey is ZGTYXGKUCJYHTE-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18N2/c1-10-6-3-2-4-8(9)5-7-10/h8H,2-7,9H2,1H3/t8-/m1/s1.
What are the key properties of (4R)-1-methylazocan-4-amine?
(4R)-1-methylazocan-4-amine has a molecular weight of 142.25 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methylazocan-4-amine is sourced from PubChem (CID 166102588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).